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Substance Name: 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside
RN: 28553-21-1
InChIKey: JFSXBMIFXZFKHD-UHFFFAOYSA-N

Molecular Formula

  • C29-H44-O8

Molecular Weight

  • 520.659
 
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Names and Synonyms

Synonym

  • EINECS 249-080-0

Systematic Name

  • 3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide, monodigitoxoside

Registry Numbers

CAS Registry Number

  • 28553-21-1

System Generated Number

  • 0028553211

Structure Descriptors

InChI

1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3

InChIKey

JFSXBMIFXZFKHD-UHFFFAOYSA-N

Smiles

C1([C@@H]2[C@@]3([C@@]([C@@H]4[C@@H]([C@@]5(CC[C@@H](O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O)C[C@@H]5CC4)C)C[C@@H]3O)(CC2)O)C)=CC(=O)OC1