12,13-Deoxytrichoverrin
TL;DR: 12,13-Deoxytrichoverrin (CAS 123025-01-4) is a chemical compound with molecular formula C29H40O8 and molecular weight 516.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,7R,9S,11R)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate
Also Known As: 12,13-Deoxytrichoverrin, 12,13-deoxytrichoverrin a, [(1R,2R,7R,9S,11R)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate, Trichotheca-9,12-diene-4,15-diol, 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate), (4beta(2E,4E,6S,7S),15(E))-, (2S,4R,5R,5AR,9AR)-5A-((((E)-5-HYDROXY-3-METHYLPENT-2-ENOYL)OXY)METHYL)-5,8-DIMETHYL-10-METHYLENE-2,3,4,5,5A,6,7,9A-OCTAHYDRO-2,5-METHANOBENZO(B)OXEPIN-4-YL (2Z,4E,6S,7S)-6,7-DIHYDROXYOCTA-2,4-DIENOATE
| Molecular Formula | C29H40O8 |
|---|---|
| Molecular Weight | 516.27 g/mol |
| LogP | 3.0843 |
| Topological Polar Surface Area | 122.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.27234 |
| Heavy Atoms | 37 |
| Complexity | 1005.37683 |
Chemical Identifiers
| CAS Number | 123025-01-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@@]3([C@@H](C[C@@H](C3=C)O2)OC(=O)/C=C\C=C\[C@@H]([C@H](C)O)O)C)COC(=O)/C=C(\C)/CCO |
Product Overview
12,13-Deoxytrichoverrin (CAS 123025-01-4), with molecular formula C29H40O8 and molecular weight 516.27 g/mol. IUPAC: [(1R,2R,7R,9S,11R)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate.
Chemical Property Profile of 12,13-Deoxytrichoverrin
Property Insights of 12,13-Deoxytrichoverrin
The XLogP value of 3.0843 indicates that 12,13-Deoxytrichoverrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-Deoxytrichoverrin. Following Lipinski's Rule of Five, 12,13-Deoxytrichoverrin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12,13-Deoxytrichoverrin?
The CAS number of 12,13-Deoxytrichoverrin is 123025-01-4.
What is the molecular formula of 12,13-Deoxytrichoverrin?
The molecular formula of 12,13-Deoxytrichoverrin is C29H40O8.
What is the molecular weight of 12,13-Deoxytrichoverrin?
The molecular weight of 12,13-Deoxytrichoverrin is 516.27 g/mol.
Where can I buy 12,13-Deoxytrichoverrin?
You can request a quote for 12,13-Deoxytrichoverrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Deoxytrichoverrin?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Deoxytrichoverrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.