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31084-38-5 | Androsta-1,4-dien-3-one, 17-hydroxy-7-methyl-, (7α,17β)-
CAS No: 31084-38-5 Catalog No: AG00322A MDL No:
Product Description
Catalog Number:
AG00322A
Chemical Name:
Androsta-1,4-dien-3-one, 17-hydroxy-7-methyl-, (7α,17β)-
CAS Number:
31084-38-5
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
IUPAC Name:
(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1
InChI Key:
YQVYJAMTSLBOFT-UQYBFTDGSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C)C
UNII:
CRW83OBW6B
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
300.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.442g/mol
Monoisotopic Mass:
300.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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