Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-
TL;DR: Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- (CAS 56857-65-9) is a chemical compound with molecular formula C33H52O9 and molecular weight 592.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Also Known As: Agavoside A, Agavosid A, agovoside A, 12-Oxospirostan-3-yl hexopyranoside, (25R)-12-oxo-5alpha-spirostan-3beta-yl beta-D-galactopyranoside
| Molecular Formula | C33H52O9 |
|---|---|
| Molecular Weight | 592.36 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 592.36115 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 56857-65-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)C)OC1 |
| InChIKey | NVCUAFIUMZCPGV-RGIGLGGVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- (CAS 56857-65-9), with molecular formula C33H52O9 and molecular weight 592.36 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-16-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one.
Chemical Property Profile of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-
Property Insights of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-
The XLogP value of 3.2 indicates that Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-. Following Lipinski's Rule of Five, Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-?
The CAS number of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- is 56857-65-9.
What is the molecular formula of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-?
The molecular formula of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- is C33H52O9.
What is the molecular weight of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-?
The molecular weight of Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- is 592.36 g/mol.
Where can I buy Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-?
You can request a quote for Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)-?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-12-one, 3-(beta-D-galactopyranosyloxy)-, (3beta,5alpha,25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.