Gambieric acid A
TL;DR: Gambieric acid A (CAS 138434-64-7) is a chemical compound with molecular formula C59H92O16 and molecular weight 1056.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid
Also Known As: Gambieric acid A, (3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid, 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,27a-pentamethyl-3-methyleneoxepino(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-6,7)oxepino(3,2-b)pyrano(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-, 2-Furanpropanoic acid, tetrahydro-beta,3-dimethyl-5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,27a-pentamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-, (3S)-3-[(2R,3S,5R)-5-[(2R)-3-[dihydroxy-[(E,4R)-5-hydroxy-2,4-dimethyl-pent-2-enyl]-pentamethyl-methylene-[?]yl]-2-hydroxy-propyl]-3-methyl-tetrahydrofuran-2-yl]butanoic acid
| Molecular Formula | C59H92O16 |
|---|---|
| Molecular Weight | 1056.64 g/mol |
| LogP | 6.835 |
| Topological Polar Surface Area | 210.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 1056.6385 |
| Heavy Atoms | 75 |
| Complexity | 2103.024 |
Chemical Identifiers
| CAS Number | 138434-64-7 |
|---|---|
| SMILES | C[C@H]1C[C@@H](O[C@H]1[C@@H](C)CC(=O)O)C[C@H](C[C@H]2[C@H](CC[C@H]3[C@H](O2)C[C@H]4[C@](O3)(C[C@]5([C@H](O4)CC[C@H]6[C@H](O5)C/C=C\[C@@H]([C@H]7[C@H](O6)C[C@H]8[C@](O7)([C@H]([C@H]9[C@H](O8)C[C@]1([C@H](O9)CC(=C)[C@H](O1)C/C(=C/[C@@H](C)CO)/C)C)O)C)C)C)C)O)O |
Product Overview
Gambieric acid A (CAS 138434-64-7), with molecular formula C59H92O16 and molecular weight 1056.64 g/mol. IUPAC: (3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29-pentamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid.
Chemical Property Profile of Gambieric acid A
Property Insights of Gambieric acid A
The XLogP value of 6.835 indicates that Gambieric acid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.52 Ų indicates high polarity, suggesting Gambieric acid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gambieric acid A has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gambieric acid A?
The CAS number of Gambieric acid A is 138434-64-7.
What is the molecular formula of Gambieric acid A?
The molecular formula of Gambieric acid A is C59H92O16.
What is the molecular weight of Gambieric acid A?
The molecular weight of Gambieric acid A is 1056.64 g/mol.
Where can I buy Gambieric acid A?
You can request a quote for Gambieric acid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gambieric acid A?
Yes, KEHONG BIO provides custom synthesis services for Gambieric acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.