![23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid structure](/static/products/5614/561-47-7.webp)
23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid
TL;DR: 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid (CAS 561-47-7) is a chemical compound with molecular formula C35H52O6 and molecular weight 568.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Also Known As: 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid, (5xi)-24-Hydroxy-22beta-[(2-methylbut-2-enoyl)oxy]-3-oxo-18alpha-olean-12-en-28-oic acid
| Molecular Formula | C35H52O6 |
|---|---|
| Molecular Weight | 568.38 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.3764 |
| Heavy Atoms | 41 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 561-47-7 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C |
| InChIKey | NZQARWYKOBSGNY-OJJPBMKYSA-N |
Product Overview
23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid (CAS 561-47-7), with molecular formula C35H52O6 and molecular weight 568.38 g/mol. IUPAC: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid
Property Insights of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid
The XLogP value of 7.1 indicates that 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid. Following Lipinski's Rule of Five, 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid?
The CAS number of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid is 561-47-7.
What is the molecular formula of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid?
The molecular formula of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid is C35H52O6.
What is the molecular weight of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid?
The molecular weight of 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid is 568.38 g/mol.
Where can I buy 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid?
You can request a quote for 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 23-Hydroxy-22-[(2-methylbut-2-enoyl)oxy]-3-oxoolean-12-en-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.