2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid
TL;DR: 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid (CAS 25383-23-7) 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.
17-(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 F, A,3, A,27-Trihydroxy-5, A-olean-12-ene-23,28-dioic acid, 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 25383-23-7 |
|---|---|
| SMILES | CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)O)C |
| InChIKey | AOHIGMQGPFTKQX-UHFFFAOYSA-N |
Product Overview
2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid (CAS 25383-23-7), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: 17-(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 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid
Property Insights of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid. Following Lipinski's Rule of Five, 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid 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 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid?
The CAS number of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid is 25383-23-7.
What is the molecular formula of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid?
The molecular formula of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid is C30H46O7.
What is the molecular weight of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid?
The molecular weight of 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid is 518.32 g/mol.
Where can I buy 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid?
You can request a quote for 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2beta,3beta,27-Trihydroxy-5alpha-olean-12-ene-23,28-dioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.