(3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)
TL;DR: (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) (CAS 18189-68-9) is a chemical compound with molecular formula C33H49NO5 and molecular weight 539.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] acetate
Also Known As: 3beta,23-N-Triacetylveratramine, KST-1A2677, 28-Acetylveratraman-3,23-diyl diacetate, (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester), (3
| Molecular Formula | C33H49NO5 |
|---|---|
| Molecular Weight | 539.36 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.3611 |
| Heavy Atoms | 39 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 18189-68-9 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@H](N(C1)C(=O)C)[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4CC3=C2C)C)OC(=O)C)OC(=O)C |
| InChIKey | SIGRSVOWFCMAHQ-WYHNMDDKSA-N |
Product Overview
(3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) (CAS 18189-68-9), with molecular formula C33H49NO5 and molecular weight 539.36 g/mol. IUPAC: [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] acetate.
Chemical Property Profile of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)
Property Insights of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)
The XLogP value of 5.0 indicates that (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester). Following Lipinski's Rule of Five, (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)?
The CAS number of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) is 18189-68-9.
What is the molecular formula of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)?
The molecular formula of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) is C33H49NO5.
What is the molecular weight of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)?
The molecular weight of (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) is 539.36 g/mol.
Where can I buy (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)?
You can request a quote for (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for (3beta,23beta)-28-Acetylveratraman-3,23-diol diacetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.