Cas no 23839-47-6 (Ergosta-8,14-dien-3-ol,(3b,5a)-)
23839-47-6 structure
Product Name:Ergosta-8,14-dien-3-ol,(3b,5a)-
Ergosta-8,14-dien-3-ol,(3b,5a)- Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-8,14-dien-3-ol,(3b,5a)-
- 5alpha-Ergosta-8,14-dien-3beta-ol
- 23839-47-6
- DTXSID90946645
- ERGOSTA-8,14-DIEN-3-OL, (3.BETA.,5.ALPHA.)-
- Ignosterol
- SHK5F5Q59M
- Q27289212
- 5.ALPHA.-ERGOSTA-8,14-DIEN-3.BETA.-OL
- (24S)-5.ALPHA.-ERGOSTA-8,14-DIEN-3.BETA.-OL
- .DELTA.8(9),14-ERGOSTADIENOL
- UNII-SHK5F5Q59M
- Ergosta-8,14-dien-3-ol
- (3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- 5.ALPHA.-ERGOST-8,14-DIEN-3.BETA.-OL
- Ergosta-8,(9)14-dien-3beta-ol
- (24S)24-Methylcholesta-8(9),14-dien-3beta-ol
-
- Inchi： 1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20+,21-,22-,24+,27-,28+/m0/s1
- InChI Key： ZWTGNSZOWCZDDE-BNYLYJPMSA-N
- SMILES： O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)C=3CC[C@H]2C1
Computed Properties
- Exact Mass: 398.35508
- Monoisotopic Mass: 398.355
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 684
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.99
- Boiling Point: 506.9°Cat760mmHg
- Flash Point: 218.6°C
- Refractive Index: 1.532
- PSA: 20.23
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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