11α,12α-环氧齐墩果内酯
TL;DR: 11α,12α-环氧齐墩果内酯 (CAS 19897-41-7) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11α,12α-环氧齐墩果内酯
(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-hydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
Also Known As: 11alpha, 12alpha-Epoxyoleanolic lactone, (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-Hydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one, 11alpha,12alpha-Epoxy-3beta,13-dihydroxyoleanane-28-oic acid gamma-lactone, (+)-3beta,13-Dihydroxy-11alpha,12alpha-epoxyoleanane-28-oic acid 28,13-lactone, (4aS,6aS,6bR,8aR,10S,12aS,12bR,12cS,13aS,13bS,13cR)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyloctadecahydro-2H,5H-13b,4a-(epoxymethano)piceno[13,14-b]oxiren-15-one
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 19897-41-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(CC7)(C)C)C(=O)O6)C)C)(C)C)O |
| InChIKey | WBMXMSJTGDKFQT-DNWRIRKBSA-N |
Product Overview
11α,12α-环氧齐墩果内酯 (CAS 19897-41-7), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-9-hydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one.
Chemical Property Profile of 11α,12α-环氧齐墩果内酯
Property Insights of 11α,12α-环氧齐墩果内酯
The XLogP value of 6.4 indicates that 11α,12α-环氧齐墩果内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 11α,12α-环氧齐墩果内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11α,12α-环氧齐墩果内酯 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11α,12α-环氧齐墩果内酯?
The CAS number of 11α,12α-环氧齐墩果内酯 is 19897-41-7.
What is the molecular formula of 11α,12α-环氧齐墩果内酯?
The molecular formula of 11α,12α-环氧齐墩果内酯 is C30H46O4.
What is the molecular weight of 11α,12α-环氧齐墩果内酯?
The molecular weight of 11α,12α-环氧齐墩果内酯 is 470.34 g/mol.
Where can I buy 11α,12α-环氧齐墩果内酯?
You can request a quote for 11α,12α-环氧齐墩果内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11α,12α-环氧齐墩果内酯?
Yes, KEHONG BIO provides custom synthesis services for 11α,12α-环氧齐墩果内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.