11-desoxycortisol

Chemical Formula:

C₂₁H₃₀O₄

Molecular Weight:

346.466 Daltons

Monoisotopic Mass:

346.2144094514 Daltons

SMILES:

CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))

InChI:

1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

InChIKey:

WHBHBVVOGNECLV-OBQKJFGGSA-N

Synonyms

substance S, Reichstein's
11-desoxycortisone
cortexolone
Reichstein's substance S
cortodoxone

Databases

MetaCyc: 11-DEOXY-CORTISOL

MetaboLights: MTBLC28324

HMDB: HMDB00015

LIPID MAPS: LMST02030086

ChemSpider: 389582

PubChem (CID): 440707

ChEBI: 28324

KEGG: C05488

CAS: 152-58-9

RefMet: 11-Deoxycortisol 11-deoxycortisol

Seed: cpd03268

MetaNetX: MNXM1399