cycloeucalenone

Chemical Formula:

C₃₀H₄₈O

Molecular Weight:

424.709 Daltons

Monoisotopic Mass:

424.3705161629 Daltons

SMILES:

CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(=O)CCC2(CC12CCC(C)34)5))))

InChI:

1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,26+,27-,28+,29?,30?/m1/s1

InChIKey:

NFRXSIOHGADFRG-VALRCWIQSA-N

Synonyms

9,19-cyclo-5α,9β-ergost-24(28)-en-3-one
3H,19H-cyclopropa[9,10]cyclopenta[a]phenanthrene
4α,14α-dimethyl-9β,19-cyclo-ergost-24(24¹)-en-3-one

Databases

MetaCyc: CPD-12868

PubChem (CID): 102515177 21594790

CAS: 1255-12-5

HMDB: HMDB30507

MetaNetX: MNXM11229

ChEBI: 142915