Sarmentocymarin
TL;DR: Sarmentocymarin (CAS 98633-61-5) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Sarmentocymarin, Divaricoside, Sarmentocymarin [German], Sarmentogenin-D-sarmentosid, Sarmentogenin 3-O-sarmentoside
| Molecular Formula | C30H46O8 |
|---|---|
| Molecular Weight | 534.32 g/mol |
| LogP | 3.1102 |
| Topological Polar Surface Area | 114.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.3193 |
| Heavy Atoms | 38 |
| Complexity | 967.89954 |
Chemical Identifiers
| CAS Number | 98633-61-5 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O |
Product Overview
Sarmentocymarin (CAS 98633-61-5), with molecular formula C30H46O8 and molecular weight 534.32 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Sarmentocymarin
Property Insights of Sarmentocymarin
The XLogP value of 3.1102 indicates that Sarmentocymarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Sarmentocymarin. Following Lipinski's Rule of Five, Sarmentocymarin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sarmentocymarin?
The CAS number of Sarmentocymarin is 98633-61-5.
What is the molecular formula of Sarmentocymarin?
The molecular formula of Sarmentocymarin is C30H46O8.
What is the molecular weight of Sarmentocymarin?
The molecular weight of Sarmentocymarin is 534.32 g/mol.
Where can I buy Sarmentocymarin?
You can request a quote for Sarmentocymarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sarmentocymarin?
Yes, KEHONG BIO provides custom synthesis services for Sarmentocymarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.