Cas no 99207-79-1 (5-Pregnen-3,20-diol glucopyranoside)
99207-79-1 structure
Product Name:5-Pregnen-3,20-diol glucopyranoside
CAS No:99207-79-1
MF:C27H44O7
MW:480.634069442749
CID:1002797
Update Time:2023-08-03
5-Pregnen-3,20-diol glucopyranoside Chemical and Physical Properties
Names and Identifiers
-
- 5-pregnen-3,20-diol glucoside
- 2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 5-PREGNEN-3Α, 20Α-DIOL
- 5-Pregnen-3,20-diol glucopyranoside
-
- Inchi： 1S/C27H44O7/c1-14(33-25-24(32)23(31)22(30)21(13-28)34-25)18-6-7-19-17-5-4-15-12-16(29)8-10-26(15,2)20(17)9-11-27(18,19)3/h4,14,16-25,28-32H,5-13H2,1-3H3
- InChI Key： ZSJWDKSRQKSIBU-UHFFFAOYSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)O)O)C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC21C)O
Computed Properties
- Exact Mass: 480.309
- Monoisotopic Mass: 480.309
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 787
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 13
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120
Experimental Properties
- Density: 1.27
- Boiling Point: 647.1°C at 760 mmHg
- Flash Point: 345.2°C
- Refractive Index: 1.593
5-Pregnen-3,20-diol glucopyranoside Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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