Cas no 107168-60-5 (Gorgostane-3,5,6,7-tetrol,7-acetate, (3b,5a,6b,7b)- (9CI))
107168-60-5 structure
Product Name:Gorgostane-3,5,6,7-tetrol,7-acetate, (3b,5a,6b,7b)- (9CI)
CAS No:107168-60-5
MF:C32H54O5
MW:518.768170833588
CID:212954
Update Time:2024-03-01
Gorgostane-3,5,6,7-tetrol,7-acetate, (3b,5a,6b,7b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Gorgostane-3,5,6,7-tetrol,7-acetate, (3b,5a,6b,7b)- (9CI)
- (+)-XeniasterolD
- Xeniasterol D
- Gorgostane-3,5,6,7-tetrol, 7-acetate, (3β,5α,6β,7β)- (9CI)
-
- Inchi： 1S/C32H54O5/c1-17(2)19(4)30(7)16-25(30)18(3)22-9-10-23-26-24(12-13-29(22,23)6)31(8)14-11-21(34)15-32(31,36)28(35)27(26)37-20(5)33/h17-19,21-28,34-36H,9-16H2,1-8H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-/m0/s1
- InChI Key： KSWPGBOZNQWLFD-AXTSUWAQSA-N
- SMILES： [C@@H]1(O)C[C@@]2(O)[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)[C@H]1C[C@@]1([C@@H](C(C)C)C)C)CC3)[C@@H](OC(=O)C)[C@H]2O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.12±0.1 g/cm3(Predicted)
- Boiling Point: 571.2±50.0 °C(Predicted)
- PSA: 52.54
- pka: 13.46±0.70(Predicted)
Gorgostane-3,5,6,7-tetrol,7-acetate, (3b,5a,6b,7b)- (9CI) Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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