12-Deoxyphorbol-13-octadecanoate
TL;DR: 12-Deoxyphorbol-13-octadecanoate (CAS 92118-03-1) is a chemical compound with molecular formula C38H62O6 and molecular weight 614.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadecanoate
Also Known As: 12-Deoxyphorbol-13-octadecanoate, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl octadecanoate, 4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl octadecanoate
| Molecular Formula | C38H62O6 |
|---|---|
| Molecular Weight | 614.45 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 614.45465 |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 92118-03-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C |
| InChIKey | STYOAVDSIDCIND-YOCJDTRFSA-N |
Product Overview
12-Deoxyphorbol-13-octadecanoate (CAS 92118-03-1), with molecular formula C38H62O6 and molecular weight 614.45 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadecanoate.
Chemical Property Profile of 12-Deoxyphorbol-13-octadecanoate
Property Insights of 12-Deoxyphorbol-13-octadecanoate
The XLogP value of 9.1 indicates that 12-Deoxyphorbol-13-octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-octadecanoate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-octadecanoate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Deoxyphorbol-13-octadecanoate?
The CAS number of 12-Deoxyphorbol-13-octadecanoate is 92118-03-1.
What is the molecular formula of 12-Deoxyphorbol-13-octadecanoate?
The molecular formula of 12-Deoxyphorbol-13-octadecanoate is C38H62O6.
What is the molecular weight of 12-Deoxyphorbol-13-octadecanoate?
The molecular weight of 12-Deoxyphorbol-13-octadecanoate is 614.45 g/mol.
Where can I buy 12-Deoxyphorbol-13-octadecanoate?
You can request a quote for 12-Deoxyphorbol-13-octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol-13-octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.