pregnan-21-al

Chemical Formula:

C₂₁H₃₄O

Molecular Weight:

302.499 Daltons

Monoisotopic Mass:

302.2609657135 Daltons

SMILES:

CC34(C2(C(C1(C(C(CC=O)CC1)(CC2)C))CCC3CCCC4))

InChI:

1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1

InChIKey:

UJWPMRYSXHLYMB-GCOKGBOCSA-N

Synonyms

2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]acetaldehyde

Databases

MetaCyc: PREGNAN-21-AL

ChEBI: 17934

ChemSpider: 388466

PubChem (CID): 439338

KEGG: C00891

Seed: cpd00661

MetaNetX: MNXM2418