testolate

testolate




Chemical Formula:
C19H27O4
Molecular Weight:
319.42 Daltons
Monoisotopic Mass:
320.19875938719997 Daltons
SMILES:
CC23(CCC(=O)C=C(CC[CH]1([CH](CCC(=O)[O-])C(C)(O)CC[CH]12))3)
InChI:
1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/p-1/t14-,15+,16+,18+,19+/m1/s1
InChIKey:
KMUJXIPRPXRPTP-DZBHQSCQSA-M

Synonyms
  • 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oate

Databases
MetaCyc:  TESTOLATE
RefMet:  Testolic acid
ChEBI:  58177
PubChem (CID):  25200495 439534
KEGG:  C01618
Seed:  cpd01136
MetaNetX:  MNXM4840