Hebevinoside I
TL;DR: Hebevinoside I (CAS 87396-30-3) is a chemical compound with molecular formula C44H72O13 and molecular weight 808.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-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 I, Gm(m), beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7-methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 6-acetate, (4R,7R,8xi)-7-Methoxy-9beta,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16alpha-yl 6-O-acetyl-beta-D-glucopyranoside, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-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
| Molecular Formula | C44H72O13 |
|---|---|
| Molecular Weight | 808.50 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 808.4973 |
| Heavy Atoms | 57 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 87396-30-3 |
|---|---|
| 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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O |
| InChIKey | PEVRNEDRRNBORS-DXOZOBJKSA-N |
Product Overview
Hebevinoside I (CAS 87396-30-3), with molecular formula C44H72O13 and molecular weight 808.50 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(7R,9R,10R,13R,14S,16R,17R)-7-methoxy-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 I
Property Insights of Hebevinoside I
The XLogP value of 4.2 indicates that Hebevinoside I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting Hebevinoside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hebevinoside I has 6 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 I?
The CAS number of Hebevinoside I is 87396-30-3.
What is the molecular formula of Hebevinoside I?
The molecular formula of Hebevinoside I is C44H72O13.
What is the molecular weight of Hebevinoside I?
The molecular weight of Hebevinoside I is 808.50 g/mol.
Where can I buy Hebevinoside I?
You can request a quote for Hebevinoside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hebevinoside I?
Yes, KEHONG BIO provides custom synthesis services for Hebevinoside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.