Cas no 204523-06-8 (Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)- (9CI))
204523-06-8 structure
Product Name:Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)- (9CI)
CAS No:204523-06-8
MF:C28H46O3
MW:430.663049221039
CID:285521
PubChem ID:6442779
Update Time:2025-04-19
Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)- (9CI)
- (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
- (22Z,24S)-Cerevisterol
- Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)-
- 204523-06-8
-
- Inchi： 1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7-/t18-,19-,20+,22-,23+,24+,25-,26-,27-,28+/m1/s1
- InChI Key： ARXHRTZAVQOQEU-HAMCDTNLSA-N
- SMILES： O[C@]12C[C@H](CC[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@@H](/C=C\[C@@H](C)C(C)C)C)CC[C@H]3C1=C[C@H]2O)O
Computed Properties
- Exact Mass: 430.34488
- Monoisotopic Mass: 430.344695
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 741
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7
- XLogP3: 5.6
Experimental Properties
- Density: 1.08
- Boiling Point: 535°C at 760 mmHg
- Flash Point: 221.2°C
- Refractive Index: 1.556
- PSA: 60.69
Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22Z,24S)- (9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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