Hebevinoside IV
TL;DR: Hebevinoside IV (CAS 101365-06-4) is a chemical compound with molecular formula C36H60O7 and molecular weight 604.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[[(7R,9R,10R,13R,14S,16R,17R)-16-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Also Known As: Hebevinoside IV, (2S,3R,4S,5R)-2-[[(7R,9R,10R,13R,14S,16R,17R)-16-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, (4R,7R,8xi)-16alpha-Hydroxy-7-methoxy-9beta,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl beta-D-xylopyranoside, 16-Hydroxy-7-methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl pentopyranoside, beta-D-Xylopyranoside, (3beta,7beta,9beta,10alpha,16beta)-16- hydroxy-7-methoxy-9-methyl-19-norlanosta-5,24-dien-3-yl
| Molecular Formula | C36H60O7 |
|---|---|
| Molecular Weight | 604.43 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.4339 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 101365-06-4 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]3(C2[C@@H](C=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)OC)C)C)C)O |
| InChIKey | AKDNVAKNWZMAKY-NXWIFMENSA-N |
Product Overview
Hebevinoside IV (CAS 101365-06-4), with molecular formula C36H60O7 and molecular weight 604.43 g/mol. IUPAC: (2S,3R,4S,5R)-2-[[(7R,9R,10R,13R,14S,16R,17R)-16-hydroxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol.
Chemical Property Profile of Hebevinoside IV
Property Insights of Hebevinoside IV
The XLogP value of 5.8 indicates that Hebevinoside IV is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hebevinoside IV. Following Lipinski's Rule of Five, Hebevinoside IV has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hebevinoside IV?
The CAS number of Hebevinoside IV is 101365-06-4.
What is the molecular formula of Hebevinoside IV?
The molecular formula of Hebevinoside IV is C36H60O7.
What is the molecular weight of Hebevinoside IV?
The molecular weight of Hebevinoside IV is 604.43 g/mol.
Where can I buy Hebevinoside IV?
You can request a quote for Hebevinoside IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hebevinoside IV?
Yes, KEHONG BIO provides custom synthesis services for Hebevinoside IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.