allopregnanolone

allopregnanolone




Chemical Formula:
C21H34O2
Molecular Weight:
318.498 Daltons
Monoisotopic Mass:
318.2558803356 Daltons
SMILES:
CC(=O)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
InChI:
1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey:
AURFZBICLPNKBZ-FZCSVUEKSA-N

Synonyms
  • 3-β-hydroxy-5-α-pregnane-20-one
  • 3-α-tetrahydroprogesterone

Databases
MetaCyc:  3-BETA-HYDROXY-5-ALPHA-PREGNANE-20-ONE
HMDB:  HMDB01455
ChemSpider:  83761
ChEBI:  11909
PubChem (CID):  92787
KEGG:  C15484
RefMet:  3beta-Hydroxy-5alpha-pregnan-20-one 3beta-hydroxy-5alpha-pregnan-20-one
MetaNetX:  MNXM3494