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Substance Name: Digitogenin 2,3-diacetate
RN: 51478-16-1
UNII: 6U0VGN877K
InChIKey: GUQPAKGHLKIJPB-RFIOMHOHSA-N

Molecular Formula

  • C31-H48-O7

Molecular Weight

  • 532.7132
 
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Names and Synonyms

Name of Substance

  • Digitogenin 2,3-diacetate

Synonyms

  • Digitogenin 2,3-diacetate
  • Digitogenin 2,3-diacetate [MI]
  • Spirostan-2,3,15-triol, 2,3-diacetate, (2alpha,3beta,5alpha,15beta,25R)-
  • UNII-6U0VGN877K

Registry Numbers

CAS Registry Number

  • 51478-16-1

FDA UNII

  • 6U0VGN877K

System Generated Number

  • 0051478161

Structure Descriptors

InChI

1S/C31H48O7/c1-16-9-12-31(35-15-16)17(2)25-28(38-31)27(34)26-21-8-7-20-13-23(36-18(3)32)24(37-19(4)33)14-30(20,6)22(21)10-11-29(25,26)5/h16-17,20-28,34H,7-15H2,1-6H3/t16-,17+,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31-/m1/s1

InChIKey

GUQPAKGHLKIJPB-RFIOMHOHSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)OC(=O)C)OC(=O)C)C)C)O)C)OC1