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Structure

8-Hydroxydigitoxigenin

CAS
1049674-06-7
Catalog Number
ACM1049674067
Category
Other Products
Molecular Weight
390.5
Molecular Formula
C23H34O5

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Specification

IUPAC Name
3-[(3S,5S,9R,10S,13R,14S,17S)-3,8-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES
CC12CCC(CC1CCC3(C2CCC4(C3CCC4C5=CC(=O)OC5)C)O)O
InChI
InChI=1S/C23H34O4/c1-21-8-6-16(24)12-15(21)5-10-23(26)18-4-3-17(14-11-20(25)27-13-14)22(18,2)9-7-19(21)23/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,19+,21-,22+,23?/m0/s1
InChI Key
KTLSRQXCTIMHKT-JDSBYJSMSA-N
Appearance
Powder
Exact Mass
390.24100
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