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Substance Name: Digitogenin tridiacetate
RN: 881179-88-0
UNII: 3K30HMI0LW
InChIKey: RGTOHBSNLAAESE-STTSWXODSA-N

Molecular Formula

  • C33-H50-O8

Molecular Weight

  • 574.75
 
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Names and Synonyms

Name of Substance

  • Digitogenin tridiacetate

Synonyms

  • Digitogenin tridiacetate
  • Digitogenin tridiacetate [MI]
  • Spirostan-2,3,15-triol, 2,3,15-triacetate, (2alpha,3beta,5alpha,15beta,25R)-
  • UNII-3K30HMI0LW

Registry Numbers

CAS Registry Number

  • 881179-88-0

FDA UNII

  • 3K30HMI0LW

System Generated Number

  • 0881179880

Structure Descriptors

InChI

1S/C33H50O8/c1-17-10-13-33(37-16-17)18(2)27-30(41-33)29(40-21(5)36)28-23-9-8-22-14-25(38-19(3)34)26(39-20(4)35)15-32(22,7)24(23)11-12-31(27,28)6/h17-18,22-30H,8-16H2,1-7H3/t17-,18+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33-/m1/s1

InChIKey

RGTOHBSNLAAESE-STTSWXODSA-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)OC(=O)C)C)OC1