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Substance Name: Digitoxigenin-galactose
RN: 33275-60-4
InChIKey: CMHWMOGWFZWDMR-GCRVBMKPSA-N

Molecular Formula

  • C29-H44-O9

Molecular Weight

  • 536.6576
 
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Names and Synonyms

Name of Substance

  • Digitoxigenin-galactose

Synonym

  • Digitoxigenin-beta-D-galactose

Systematic Name

  • Card-20(22)-enolide, 3-(beta-D-galactopyranosyloxy)-14-hydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 33275-60-4

System Generated Number

  • 0033275604

Structure Descriptors

InChI

1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29?/m1/s1

InChIKey

CMHWMOGWFZWDMR-GCRVBMKPSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O