3-Hydroxy-11-ursen-28,13-olide
TL;DR: 3-Hydroxy-11-ursen-28,13-olide (CAS 35959-05-8) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
Also Known As: 3-Hydroxy-11-ursen-28,13-olide, KBio3_002214, (1S,4S,5R,8R,10S,13S,14R,17S,18R,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one, 10-Hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 6.5402 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 921.5025 |
Chemical Identifiers
| CAS Number | 35959-05-8 |
|---|---|
| SMILES | CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C=CC4(C2C1C)OC3=O)C)O)(C)C)C)C |
Product Overview
3-Hydroxy-11-ursen-28,13-olide (CAS 35959-05-8), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: 10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one.
Chemical Property Profile of 3-Hydroxy-11-ursen-28,13-olide
Property Insights of 3-Hydroxy-11-ursen-28,13-olide
The XLogP value of 6.5402 indicates that 3-Hydroxy-11-ursen-28,13-olide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Hydroxy-11-ursen-28,13-olide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-11-ursen-28,13-olide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-11-ursen-28,13-olide?
The CAS number of 3-Hydroxy-11-ursen-28,13-olide is 35959-05-8.
What is the molecular formula of 3-Hydroxy-11-ursen-28,13-olide?
The molecular formula of 3-Hydroxy-11-ursen-28,13-olide is C30H46O3.
What is the molecular weight of 3-Hydroxy-11-ursen-28,13-olide?
The molecular weight of 3-Hydroxy-11-ursen-28,13-olide is 454.34 g/mol.
Where can I buy 3-Hydroxy-11-ursen-28,13-olide?
You can request a quote for 3-Hydroxy-11-ursen-28,13-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-11-ursen-28,13-olide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-11-ursen-28,13-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.