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Digitoxigenin 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.
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pre_formula( "InChI=1/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+,17u,18u,19u,21+,22-,23+/m1/s1", "jqp021/8932.html" ); ?>
Molecular Formula:
C23H34O4
InChI: InChI=1/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+,17u,18u,19u,21+,22-,23+/m1/s1
InChIKey: InChIKey=XZTUSOXSLKTKJQ-CNJBYKNMBD
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
Names:
BRN 0095448
Cerberigenin
Digitoxigenine
Digitoxigenin
Echujetin
EINECS 205-603-4
Evonogenin
NSC 407806
Thevetigenin
3beta,14-Dihydroxy-5beta-card-20(22)-enolide
4-[(3S,5R,10S,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
name_it( "InChI=1/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+,17u,18u,19u,21+,22-,23+/m1/s1", "jqp021/8932.html" ); ?>
Registries:
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PubChem CID 8932
PubChem ID 152084
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