![(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one structure](/static/products/1311/131180-29-5.webp)
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
TL;DR: (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one (CAS 131180-29-5) is a chemical compound with molecular formula C21H30O11 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Also Known As: Trichothec-9-en-8-one, 12,13-epoxy-15-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-, (3alpha,7alpha)-, 3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl hexopyranoside, (12xi)-3alpha,7alpha-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl beta-D-glucopyranoside
| Molecular Formula | C21H30O11 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.1788 |
| Heavy Atoms | 32 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 131180-29-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C34CO4)O2)O)C)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | YCMGNMAHGZOWGK-IAQISHLUSA-N |
Product Overview
(1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one (CAS 131180-29-5), with molecular formula C21H30O11 and molecular weight 458.18 g/mol. IUPAC: (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one.
Chemical Property Profile of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Property Insights of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
The XLogP value of -2.9 indicates that (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one?
The CAS number of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one is 131180-29-5.
What is the molecular formula of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one?
The molecular formula of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one is C21H30O11.
What is the molecular weight of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one?
The molecular weight of (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one is 458.18 g/mol.
Where can I buy (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one?
You can request a quote for (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R,3S,7R,9R,10R)-3,10-dihydroxy-1,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.