CAS 1224-95-9 | Androstan-3-one, (5α)- | CAS Number 1224-95-9

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1224-95-9 | Androstan-3-one, (5α)-

CAS No: 1224-95-9 Catalog No: AG00177I MDL No:

Product Description

Catalog Number:

AG00177I

Chemical Name:

Androstan-3-one, (5α)-

CAS Number:

1224-95-9

Molecular Formula:

C19H30O

Molecular Weight:

274.4409

IUPAC Name:

(5S,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

InChI:

InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1

InChI Key:

VMNRNUNYBVFVQI-QYXZOKGRSA-N

SMILES:

O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C

UNII:

1MTS8QN3OK

NSC Number:

50893

Properties

Complexity:

428

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.23g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.448g/mol

Monoisotopic Mass:

274.23g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5

Literature

Title	Journal
Solvent effects on infrared spectroscopy of 17beta-hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one in single solvents.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060901
Differential responses to odorant analogs after recovery from nerve transection.	Physiology & behavior 20020801