ecdysone

Chemical Formula:

C₂₇H₄₄O₆

Molecular Weight:

464.641 Daltons

Monoisotopic Mass:

464.313789145 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/C27H44O6/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/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

InChIKey:

UPEZCKBFRMILAV-JMZLNJERSA-N

Synonyms

molting hormone

Databases

MetaCyc: ECDYSONE

RefMet: Ecdysone

PubChem (CID): 19212

LIPID MAPS: LMST01010210

ChemSpider: 3441843

ChEBI: 16688

KEGG: C00477

CAS: 3604-87-3

Seed: cpd00369

MetaNetX: MNXM1149

KNApSAcK: C00003651

3DMET: B01257

NIKKAJI: J8.177I

CHEMBL: CHEMBL549300 CHEMBL1456897

PupChem (SID): 3760