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6960-00-5 | 3-hydroxy-16-(hydroxymethyl)androstan-17-one
CAS No: 6960-00-5 Catalog No: AG005K2A MDL No:
Product Description
Catalog Number:
AG005K2A
Chemical Name:
3-hydroxy-16-(hydroxymethyl)androstan-17-one
CAS Number:
6960-00-5
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
IUPAC Name:
3-hydroxy-16-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3
InChI Key:
KQHKUOHLCRQQSG-UHFFFAOYSA-N
SMILES:
OCC1C[C@@H]2[C@](C1=O)(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCC(C2)O
NSC Number:
69590
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.473g/mol
Monoisotopic Mass:
320.235g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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