Hebevinoside III
TL;DR: Hebevinoside III (CAS 89203-39-4) is a chemical compound with molecular formula C43H70O13 and molecular weight 794.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate
Also Known As: Hebevinoside III, [(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate, (4R,7R,8xi,16R,17R)-7-Hydroxy-9beta,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetyl-beta-D-allopyranoside, 7-Hydroxy-9,10,14-trimethyl-1-(pentopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl 6-O-acetylhexopyranoside, beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-hydroxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetate
| Molecular Formula | C43H70O13 |
|---|---|
| Molecular Weight | 794.48 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 794.4816 |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 89203-39-4 |
|---|---|
| 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)O)C)C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O |
| InChIKey | ZSGIZQTTWRMUOQ-ONRVDQHZSA-N |
Product Overview
Hebevinoside III (CAS 89203-39-4), with molecular formula C43H70O13 and molecular weight 794.48 g/mol. IUPAC: [(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Hebevinoside III
Property Insights of Hebevinoside III
The XLogP value of 3.7 indicates that Hebevinoside III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Hebevinoside III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hebevinoside III has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hebevinoside III?
The CAS number of Hebevinoside III is 89203-39-4.
What is the molecular formula of Hebevinoside III?
The molecular formula of Hebevinoside III is C43H70O13.
What is the molecular weight of Hebevinoside III?
The molecular weight of Hebevinoside III is 794.48 g/mol.
Where can I buy Hebevinoside III?
You can request a quote for Hebevinoside III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hebevinoside III?
Yes, KEHONG BIO provides custom synthesis services for Hebevinoside III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.