Hebevinoside II
TL;DR: Hebevinoside II (CAS 89456-98-4) is a chemical compound with molecular formula C45H72O14 and molecular weight 836.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-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-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Also Known As: Hebevinoside II, [(2R,3S,4S,5R,6R)-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-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-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate, beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-3-((4-O-acetyl-beta-D-xylopyranosyl)oxy)-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 6-acetate
| Molecular Formula | C45H72O14 |
|---|---|
| Molecular Weight | 836.49 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 836.4922 |
| Heavy Atoms | 59 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 89456-98-4 |
|---|---|
| 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)OC(=O)C)O)O)O)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O |
| InChIKey | RKJPAJOYCCHXQX-OLZOPSFVSA-N |
Product Overview
Hebevinoside II (CAS 89456-98-4), with molecular formula C45H72O14 and molecular weight 836.49 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-6-[[(7R,9S,10R,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-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-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Hebevinoside II
Property Insights of Hebevinoside II
The XLogP value of 4.2 indicates that Hebevinoside II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Hebevinoside II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hebevinoside II has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hebevinoside II?
The CAS number of Hebevinoside II is 89456-98-4.
What is the molecular formula of Hebevinoside II?
The molecular formula of Hebevinoside II is C45H72O14.
What is the molecular weight of Hebevinoside II?
The molecular weight of Hebevinoside II is 836.49 g/mol.
Where can I buy Hebevinoside II?
You can request a quote for Hebevinoside II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hebevinoside II?
Yes, KEHONG BIO provides custom synthesis services for Hebevinoside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.