16-dehydroprogesterone

Chemical Formula:

C₂₁H₂₈O₂

Molecular Weight:

312.451 Daltons

Monoisotopic Mass:

312.208930143 Daltons

SMILES:

CC(=O)C1(=CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))

InChI:

1S/C21H28O2/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/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1

InChIKey:

VRRHHTISESGZFN-RKFFNLMFSA-N

Synonyms

Databases

MetaCyc: 16-17-DIDEHYDROPROGESTERONE

HMDB: HMDB00995

ChemSpider: 92118

PubChem (CID): 101964

ChEBI: 18204

KEGG: C03207

NCI: 11037

CAS: 1096-38-4

RefMet: 16,17-Didehydroprogesterone

Seed: cpd02049

MetaNetX: MNXM4254