digitoxigenin

Chemical Formula:

C₂₃H₃₄O₄

Molecular Weight:

374.519 Daltons

Monoisotopic Mass:

374.2457095798 Daltons

SMILES:

CC45(CCC(O)CC(CCC3(C(CCC2(C)(C(C1(COC(=O)C=1))CCC(O)23))4))5)

InChI:

1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15?,16?,17?,18-,19?,21?,22?,23?/m0/s1

InChIKey:

XZTUSOXSLKTKJQ-YCRQSZGSSA-N

Synonyms

Cerberigenin
echujetin
evonogenin
thevetigenin

Databases

MetaCyc: CPD-10537

PubChem (CID): 25202695 4369270

Seed: cpd22706

MetaNetX: MNXM50693

ChEBI: 42219

RefMet: Digitoxigenin