Hebevinoside XI
TL;DR: Hebevinoside XI (CAS 101365-13-3) is a chemical compound with molecular formula C46H74O14 and molecular weight 850.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(7R,9S,10R,13R,14S,16S,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 XI, [(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(7R,9S,10R,13R,14S,16S,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, 7-3-O-beta-D-Xylopyranoside-16-O-(4,6-di-O-acetyl)-beta-D-glucopyranoside, beta-D-Glucopyranoside, (3beta,7beta,9beta,10alpha,16beta)-7- methoxy-9-methyl-3-(beta-D-xylopyranosyloxy)-19-norlanosta-5,24-dien-16-yl, 4,6-diacetate
| Molecular Formula | C46H74O14 |
|---|---|
| Molecular Weight | 850.51 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 850.5079 |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 101365-13-3 |
|---|---|
| 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)OC(=O)C)O)O |
| InChIKey | BDIZCZITXGMZCF-VLBBCCKOSA-N |
Product Overview
Hebevinoside XI (CAS 101365-13-3), with molecular formula C46H74O14 and molecular weight 850.51 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(7R,9S,10R,13R,14S,16S,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 XI
Property Insights of Hebevinoside XI
The XLogP value of 4.8 indicates that Hebevinoside XI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting Hebevinoside XI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hebevinoside XI has 5 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 XI?
The CAS number of Hebevinoside XI is 101365-13-3.
What is the molecular formula of Hebevinoside XI?
The molecular formula of Hebevinoside XI is C46H74O14.
What is the molecular weight of Hebevinoside XI?
The molecular weight of Hebevinoside XI is 850.51 g/mol.
Where can I buy Hebevinoside XI?
You can request a quote for Hebevinoside XI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hebevinoside XI?
Yes, KEHONG BIO provides custom synthesis services for Hebevinoside XI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.