Cas no 85643-78-3 (Ergosta-5,7,24(28)-triene-3,20-diol,(3b,20x)-)
85643-78-3 structure
Product Name:Ergosta-5,7,24(28)-triene-3,20-diol,(3b,20x)-
CAS No:85643-78-3
MF:C28H44O2
MW:412.647768974304
CID:730418
PubChem ID:74951786
Update Time:2024-03-01
Ergosta-5,7,24(28)-triene-3,20-diol,(3b,20x)- Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-5,7,24(28)-triene-3,20-diol,(3b,20x)-
- Ergosta-5,7,24(28)-triene-3,20-diol, (3β,20ξ)-
- DTXSID601256668
- Amasterol
- (3beta,20xi)-Ergosta-5,7,24(28)-triene-3,20-diol
- 17-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- 85643-78-3
- CHEBI:191983
-
- Inchi： 1S/C28H44O2/c1-18(2)19(3)11-16-28(6,30)25-10-9-23-22-8-7-20-17-21(29)12-14-26(20,4)24(22)13-15-27(23,25)5/h7-8,18,21,23-25,29-30H,3,9-17H2,1-2,4-6H3
- InChI Key： VRCVXRWYXYWACO-UHFFFAOYSA-N
- SMILES： OC(C)(CCC(=C)C(C)C)C1CCC2C3=CC=C4CC(CCC4(C)C3CCC21C)O
Computed Properties
- Exact Mass: 412.334130642g/mol
- Monoisotopic Mass: 412.334130642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 761
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 40.5?2
Ergosta-5,7,24(28)-triene-3,20-diol,(3b,20x)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergosterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives
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