Trichoverrin B
TL;DR: Trichoverrin B (CAS 76685-82-0) is a chemical compound with molecular formula C29H40O9 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
Also Known As: Trichoverrin B, J1.731.982E, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-((2Z,4E,6S,7R)-6,7-dihydroxy-2,4-octadienoate) 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4beta)-, TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 4-((2Z,4E,6S,7R)-6,7-DIHYDROXY-2,4-OCTADIENOATE) 15-((2E)-5-HYDROXY-3-METHYL-2-PENTENOATE), (4.BETA.)-, ((1S,2R,7R,9R,11R)-2-(((E)-5-hydroxy-3-methylpent-2-enoyl)oxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 2.2971 |
| Topological Polar Surface Area | 135.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1036.649 |
Chemical Identifiers
| CAS Number | 76685-82-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\[C@@H]([C@@H](C)O)O)C)COC(=O)/C=C(\C)/CCO |
Product Overview
Trichoverrin B (CAS 76685-82-0), with molecular formula C29H40O9 and molecular weight 532.27 g/mol. IUPAC: [(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate.
Chemical Property Profile of Trichoverrin B
Property Insights of Trichoverrin B
The XLogP value of 2.2971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichoverrin B. The TPSA of 135.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichoverrin B. Following Lipinski's Rule of Five, Trichoverrin B has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichoverrin B?
The CAS number of Trichoverrin B is 76685-82-0.
What is the molecular formula of Trichoverrin B?
The molecular formula of Trichoverrin B is C29H40O9.
What is the molecular weight of Trichoverrin B?
The molecular weight of Trichoverrin B is 532.27 g/mol.
Where can I buy Trichoverrin B?
You can request a quote for Trichoverrin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichoverrin B?
Yes, KEHONG BIO provides custom synthesis services for Trichoverrin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.