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1808-63-5 | Pregna-5,16-dien-20-one, 3-hydroxy-16-methyl-, (3β)-
CAS No: 1808-63-5 Catalog No: AG0022DO MDL No:
Product Description
Catalog Number:
AG0022DO
Chemical Name:
Pregna-5,16-dien-20-one, 3-hydroxy-16-methyl-, (3β)-
CAS Number:
1808-63-5
Molecular Formula:
C22H32O2
Molecular Weight:
328.4883
IUPAC Name:
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChI:
InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,16-19,24H,6-12H2,1-4H3/t16-,17+,18-,19-,21-,22-/m0/s1
InChI Key:
WYOKDIKHIXWWOC-LXIBVNSESA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC(=C2C(=O)C)C)C)C1)C
EC Number:
217-311-4
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
328.24g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.496g/mol
Monoisotopic Mass:
328.24g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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