3-dehydro-2,22,25-deoxyecdysone

Chemical Formula:

C₂₇H₄₂O₃

Molecular Weight:

414.627 Daltons

Monoisotopic Mass:

414.31339521449996 Daltons

SMILES:

CC(C)CCCC(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C[CH](C(=O)C=C23)4))))

InChI:

1S/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1

InChIKey:

AJPPBYXIXOLGAV-QHKDMNIJSA-N

Synonyms

3-dehydro-2,22,25-trideoxyecdysone
5β-diketol

Databases

MetaCyc: CPD-15500

KEGG: C16509

ChEBI: 80541

PubChem (CID): 15081546

Seed: cpd16297

MetaNetX: MNXM5425