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Substance Name: O-Acetylgitoroside
RN: 53735-71-0
InChIKey: QWTDCDSWAVIWER-DVZRJHCKSA-N

Molecular Formula

  • C31-H46-O9

Molecular Weight

  • 562.6954
 
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Names and Synonyms

Name of Substance

  • O-Acetylgitoroside

Synonyms

  • EINECS 258-733-9
  • Gitoroside, acetate
  • Oleandrigenin 3-monodigitoxoside

Systematic Name

  • (3beta,5beta,16beta)-3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-acetate

Registry Numbers

CAS Registry Number

  • 53735-71-0

System Generated Number

  • 0053735710

Structure Descriptors

InChI

1S/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21+,22-,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1

InChIKey

QWTDCDSWAVIWER-DVZRJHCKSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H](O)[C@@H]1C)O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@]4([C@@]([C@@H](C5=CC(=O)OC5)[C@@H](C4)OC(=O)C)(CC[C@@H]3[C@@]2(CC1)C)C)O