2,22,25-trideoxyecdysone

Chemical Formula:

C₂₇H₄₄O₃

Molecular Weight:

416.643 Daltons

Monoisotopic Mass:

416.3290452787 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/C27H44O3/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/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1

InChIKey:

FADCOUQPHXGWQS-ZCDXYYCTSA-N

Synonyms

3β,14α-dihydroxy-5β-cholest-7-en-6-one
5β-ketodiol
3β,5β-ketodiol

Databases

MetaCyc: CPD-15499

PubChem (CID): 15942885

KEGG: C16493

ChEBI: 19290

RefMet: 2,22,25-Trideoxyecdysone

Seed: cpd16281

MetaNetX: MNXM6663