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10116-22-0 | 19-Norpregna-4,9-diene-3,20-dione, 17-methyl-
CAS No: 10116-22-0 Catalog No: AG0003VZ MDL No:
Product Description
Catalog Number:
AG0003VZ
Chemical Name:
19-Norpregna-4,9-diene-3,20-dione, 17-methyl-
CAS Number:
10116-22-0
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
IUPAC Name:
(8S,13S,14S,17S)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChI Key:
JWAHBTQSSMYISL-MHTWAQMVSA-N
SMILES:
O=C1CCC2=C3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)C(=O)C)C
EC Number:
233-320-6
UNII:
6E89AM91SZ
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
312.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.453g/mol
Monoisotopic Mass:
312.209g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Oral progestagens before menopause and breast cancer risk. | British journal of cancer 20070312 |
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