Cas no 35882-30-5 (Spirost-5-ene-1,3-diol,(1b,3b,25S)-)
35882-30-5 structure
Product Name:Spirost-5-ene-1,3-diol,(1b,3b,25S)-
CAS No:35882-30-5
MF:C27H42O4
MW:430.619988918304
CID:295939
Update Time:2024-02-29
Spirost-5-ene-1,3-diol,(1b,3b,25S)- Chemical and Physical Properties
Names and Identifiers
-
- Spirost-5-ene-1,3-diol,(1b,3b,25S)-
- (25S)-ruscogenin
- 22a,25L-Spirost-5-ene-1b,3b-diol (6CI)
- 25L-Spirost-5-ene-1,3b-diol
- 25S-Ruscogenin
- Neoruscogenin
- n-Ruscogenin
- Spirost-5-ene-1,3-diol, (1β,3β,25S)-
-
- Inchi： 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
- InChI Key： QMQIQBOGXYYATH-JZAGGSFNSA-N
- SMILES： [C@@H]1(O)CC2[C@](C)([C@H](O)C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@]1([C@H](C)[C@@]4(CC[C@H](C)CO4)O[C@@]1([H])C3)[H])CC=2
Computed Properties
- Exact Mass: 430.30846
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 563.1±50.0 °C(Predicted)
- PSA: 58.92
- pka: 14.56±0.70(Predicted)
Spirost-5-ene-1,3-diol,(1b,3b,25S)- Related Literature
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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