Cucurbitacin O
TL;DR: Cucurbitacin O (CAS 2163-40-8) is a chemical compound with molecular formula C30H46O7 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Also Known As: Cucurbitacin O, Presenegenin, Cucurbitacin F, (2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one, (2beta,3beta,4alpha)-2,3,27-Trihydroxyolean-12-ene-23,28-dioic acid
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 2.7203 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 1048.6383 |
Chemical Identifiers
| CAS Number | 2163-40-8 |
|---|---|
| SMILES | C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@H]([C@H](C4(C)C)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O |
Product Overview
Cucurbitacin O (CAS 2163-40-8), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: (2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Cucurbitacin O
Property Insights of Cucurbitacin O
The XLogP value of 2.7203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cucurbitacin O. The TPSA of 135.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Cucurbitacin O. Following Lipinski's Rule of Five, Cucurbitacin O has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucurbitacin O?
The CAS number of Cucurbitacin O is 2163-40-8.
What is the molecular formula of Cucurbitacin O?
The molecular formula of Cucurbitacin O is C30H46O7.
What is the molecular weight of Cucurbitacin O?
The molecular weight of Cucurbitacin O is 518.32 g/mol.
Where can I buy Cucurbitacin O?
You can request a quote for Cucurbitacin O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacin O?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacin O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.