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7153-88-0 | (8S,9S,10R,11S,13S,14S,17S)-11,17-DIHYDROXY-4,10,13,17-TETRAMETHYL-2,6 ,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE
CAS No: 7153-88-0 Catalog No: AG005GSB MDL No:
Product Description
Catalog Number:
AG005GSB
Chemical Name:
(8S,9S,10R,11S,13S,14S,17S)-11,17-DIHYDROXY-4,10,13,17-TETRAMETHYL-2,6 ,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE
CAS Number:
7153-88-0
Molecular Formula:
C21H32O3
Molecular Weight:
332.4770
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-4,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H32O3/c1-12-14-6-5-13-15-7-10-21(4,24)20(15,3)11-17(23)18(13)19(14,2)9-8-16(12)22/h13,15,17-18,23-24H,5-11H2,1-4H3/t13-,15-,17-,18+,19-,20-,21-/m0/s1
InChI Key:
WGWIOQHCYQKREK-HWNNUFKUSA-N
SMILES:
O[C@H]1C[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)CCC(=O)C(=C1CC3)C)CC[C@]2(C)O
UNII:
OO1C9K9OHW
NSC Number:
41842
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
332.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.484g/mol
Monoisotopic Mass:
332.235g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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