Name: 17-(3-Hydroxypropyl)-6β,7β,15β,16β-dimethyleneandrostane-3β,5β,17β-triol-[13C3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-006191

CAS: 1264137-83-8

Molecular Formula: C21[13C]3H38O4

Molecular Weight: 393.63

Chemical Structure

Description	17-(3-Hydroxypropyl)-6β,7β,15β,16β-dimethyleneandrostane-3β,5β,17β-triol-[13C3] is the labelled analogue of 17-(3-Hydroxypropyl)-6β,7β,15β,16β-dimethyleneandrostane-3β,5β,17β-triol, which is an intermediate in the preparation of Drospirenone.
Synonyms	17-(3-Hydroxypropyl-13C3)-6β,7β,15β,16β-dimethyleneandrostane-3β,5β,17β-triol; (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl-13C3)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
IUPAC Name	(1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-hydroxy(1,2,3-13C3)propyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol
Related CAS	82543-18-8 (unlabelled)
Canonical SMILES	CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5(CCCO)O)C)O)O
InChI	InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1/i3+1,6+1,9+1
InChI Key	ZDMZCRYKODGNBZ-RVANAULZSA-N
Melting Point	95-108°C
Purity	≥90%
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C