茯苓酸
TL;DR: 茯苓酸 (CAS 29070-92-6) is a chemical compound with molecular formula C33H52O5 and molecular weight 528.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茯苓酸
(2S)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Also Known As: Pachymic acid, (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
| Molecular Formula | C33H52O5 |
|---|---|
| Molecular Weight | 528.38 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.3815 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 29070-92-6 |
|---|---|
| SMILES | CC(C)C(=C)CC[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O |
| InChIKey | VDYCLYGKCGVBHN-IPDKDDSOSA-N |
Product Overview
茯苓酸 (CAS 29070-92-6), with molecular formula C33H52O5 and molecular weight 528.38 g/mol. IUPAC: (2S)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid.
Chemical Property Profile of 茯苓酸
Property Insights of 茯苓酸
The XLogP value of 7.2 indicates that 茯苓酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 茯苓酸. Following Lipinski's Rule of Five, 茯苓酸 has 2 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 茯苓酸?
The CAS number of 茯苓酸 is 29070-92-6.
What is the molecular formula of 茯苓酸?
The molecular formula of 茯苓酸 is C33H52O5.
What is the molecular weight of 茯苓酸?
The molecular weight of 茯苓酸 is 528.38 g/mol.
Where can I buy 茯苓酸?
You can request a quote for 茯苓酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茯苓酸?
Yes, KEHONG BIO provides custom synthesis services for 茯苓酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.