二谷甾醇醚
TL;DR: 二谷甾醇醚 (CAS 113527-64-3) is a chemical compound with molecular formula C58H94O and molecular weight 806.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二谷甾醇醚
(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Distigmasteryl ether, Stigmasta-5,22-diene, 3,3'-oxybis-, (3beta,22E)-(3'beta,22'E)-, (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C58H94O |
|---|---|
| Molecular Weight | 806.73 g/mol |
| LogP | 16.6472 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 806.73047 |
| Heavy Atoms | 59 |
| Complexity | 1474.9784 |
Chemical Identifiers
| CAS Number | 113527-64-3 |
|---|---|
| SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@@H]1[C@@]2(C(C3C([C@@]4(C(=CC3)C[C@H](CC4)O[C@@H]5CC6=CCC7C([C@]6(CC5)C)CC[C@]8(C7CC[C@@H]8[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)CC2)CC1)C)C |
Product Overview
二谷甾醇醚 (CAS 113527-64-3), with molecular formula C58H94O and molecular weight 806.73 g/mol. IUPAC: (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 二谷甾醇醚
Property Insights of 二谷甾醇醚
The XLogP value of 16.6472 indicates that 二谷甾醇醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 二谷甾醇醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二谷甾醇醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二谷甾醇醚?
The CAS number of 二谷甾醇醚 is 113527-64-3.
What is the molecular formula of 二谷甾醇醚?
The molecular formula of 二谷甾醇醚 is C58H94O.
What is the molecular weight of 二谷甾醇醚?
The molecular weight of 二谷甾醇醚 is 806.73 g/mol.
Where can I buy 二谷甾醇醚?
You can request a quote for 二谷甾醇醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二谷甾醇醚?
Yes, KEHONG BIO provides custom synthesis services for 二谷甾醇醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.