Cas no 1971-59-1 (18-Norandrosta-4,13-dien-3-one,17,17-dimethyl- (8CI,9CI))
1971-59-1 structure
Product Name:18-Norandrosta-4,13-dien-3-one,17,17-dimethyl- (8CI,9CI)
18-Norandrosta-4,13-dien-3-one,17,17-dimethyl- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 18-Norandrosta-4,13-dien-3-one,17,17-dimethyl- (8CI,9CI)
- (8R,9S,10R)-10,17,17-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
- 17,17-dimethyl-18-norandrosta-4,13-dien-3-one
- 17,17-dimethyl-18-nor-4,13-androstadien-3-one
- 17,17-Dimethyl-18-norandrosta-4,13-dien-3-on
- 17,17-Dimethyl-18-norandrostan-4,13-dien-3-on
- 18-Norandrosta-4,17,17-dimethyl
- Dmnado
- Q27115872
- 1971-59-1
- NSC 39364
- NSC-39364
- 18-Norandrosta-4, 17,17-dimethyl-
- SCHEMBL9706242
- 18-Norandrosta-4,13-dien-3-one, 17,17-dimethyl-
- DTXSID10173375
- CHEBI:34174
- NSC39364
- 17,17-Dimethyl-18-norandrostadien-4,13-one-3
-
- Inchi： 1S/C20H28O/c1-19(2)10-9-16-15-5-4-13-12-14(21)8-11-20(13,3)18(15)7-6-17(16)19/h12,15,18H,4-11H2,1-3H3/t15-,18-,20-/m0/s1
- InChI Key： SPKAUGWCKWXQFM-QSFXBCCZSA-N
- SMILES： O=C1C=C2CC[C@H]3C4CCC(C)(C)C=4CC[C@@H]3[C@@]2(C)CC1
Computed Properties
- Exact Mass: 284.21400
- Monoisotopic Mass: 284.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 562
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.06
- Boiling Point: 411.9°C at 760 mmHg
- Flash Point: 191.5°C
- Refractive Index: 1.553
- PSA: 17.07000
- LogP: 5.21860
18-Norandrosta-4,13-dien-3-one,17,17-dimethyl- (8CI,9CI) Related Literature
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Victorio Cadierno,Javier Francos,José Gimeno Green Chem. 2010 12 135
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2. References
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