异构内酯
TL;DR: 异构内酯 (CAS 62008-04-2) is a chemical compound with molecular formula C29H44O6 and molecular weight 488.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异构内酯
(1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate
Also Known As: Heteronemin, (1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate, 13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetate, Chryseno[1,2-c]furan-1,4,13-triol,1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-,1,4-diacetate, (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-
| Molecular Formula | C29H44O6 |
|---|---|
| Molecular Weight | 488.31 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.31378 |
| Heavy Atoms | 35 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 62008-04-2 |
|---|---|
| SMILES | CC(=O)OC1CC2C3(CCC4C(CCCC4(C3CC(C2(C5C1=COC5OC(=O)C)C)O)C)(C)C)C |
| InChIKey | VYIQDOVNWPEWRJ-UHFFFAOYSA-N |
Product Overview
异构内酯 (CAS 62008-04-2), with molecular formula C29H44O6 and molecular weight 488.31 g/mol. IUPAC: (1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate.
Chemical Property Profile of 异构内酯
Property Insights of 异构内酯
The XLogP value of 5.7 indicates that Heteronemin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 异构内酯. Following Lipinski's Rule of Five, Heteronemin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heteronemin?
The CAS number of Heteronemin is 62008-04-2.
What is the molecular formula of Heteronemin?
The molecular formula of Heteronemin is C29H44O6.
What is the molecular weight of Heteronemin?
The molecular weight of Heteronemin is 488.31 g/mol.
Where can I buy Heteronemin?
You can request a quote for Heteronemin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heteronemin?
Yes, KEHONG BIO provides custom synthesis services for Heteronemin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.