Gambieric acid B
TL;DR: Gambieric acid B (CAS 141363-65-7) is a chemical compound with molecular formula C60H94O16 and molecular weight 1070.6542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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]-9,18,21,27,29,34-hexamethyl-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 B, (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]-9,18,21,27,29,34-hexamethyl-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,17,27a-hexamethyl-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, 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,17,27a-hexamethyl-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,17,27a-hexamethyl-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)-
Technical Specifications
| Molecular Formula | C60H94O16 |
| Molecular Weight | 1070.6542 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 1070.6542 Da |
| Heavy Atoms | 76 |
| Complexity | 2160.0 |
| 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@@](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)(C)O)O |
| InChIKey | PLNXKBYHTXJJIY-ZAXYGDKESA-N |
Chemical Property Profile of Gambieric acid B
Property Insights of Gambieric acid B
The XLogP value of 5.6 indicates that Gambieric acid B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Gambieric acid B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gambieric acid B has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gambieric acid B?
The CAS number of Gambieric acid B is 141363-65-7.
What is the molecular formula of Gambieric acid B?
The molecular formula of Gambieric acid B is C60H94O16.
What is the molecular weight of Gambieric acid B?
The molecular weight of Gambieric acid B is 1070.6542 g/mol.
Where can I buy Gambieric acid B?
You can request a quote for Gambieric acid B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gambieric acid B?
Yes, CoreyChem provides custom synthesis services for Gambieric acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.