3-dehydroecdysone

Chemical Formula:

C₂₇H₄₂O₆

Molecular Weight:

462.625 Daltons

Monoisotopic Mass:

462.29813908079996 Daltons

SMILES:

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

InChI:

1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,23-,25+,26+,27+/m0/s1

InChIKey:

GDSSFVCRVUQMRG-OSCDMYCUSA-N

Databases

MetaCyc: CPD-331

ChEBI: 17058

PubChem (CID): 5460083

ChemSpider: 388803

KEGG: C02513

RefMet: 3-Dehydroecdysone 3-dehydroecdysone

Seed: cpd01652

MetaNetX: MNXM2610