Pregnenolone

Catalog	ACM145131
CAS	145-13-1
Structure
Synonyms	3β-Hydroxy-pregn-5-ene-20-one
IUPAC Name	1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Weight	316.48
Molecular Formula	C21H32O2
Canonical SMILES	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChI Key	ORNBQBCIOKFOEO-QGVNFLHTSA-N
Boiling Point	395.89 °C
Melting Point	188-190 °C
Flash Point	9 °C
Purity	98%
Density	1.038 g/ml
Appearance	Powder
Exact Mass	316.240230259
Isomeric SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Monoisotopic Mass	316.240230259
Physical State	Powder
Refractive Index	n20/D 1.5344(lit.)
Topological Polar Surface Area	37.3 Ų