3-epiecdysone
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:
Databases
MetaCyc:
CPD-15607
ChEBI:
80531
KEGG:
C16496
PubChem (CID):
23724769
Seed:
cpd16284
MetaNetX:
MNXM10006