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Substance Name: Hecogenin acetate
RN: 915-35-5
UNII: 5K0WKD513R
InChIKey: CVKZWRTYHCDWTE-RSEFXUKDSA-N

Molecular Formula

  • C29-H44-O5

Molecular Weight

  • 472.662
 
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Names and Synonyms

Results Name

  • Hecogenin acetate

Name of Substance

  • Hecogenin acetate

Synonyms

  • 3beta-Acetoxy-5alpha-spirostan-12-one
  • AI3-44894
  • EINECS 213-021-7
  • Hecogenin acetate
  • NSC 15489
  • UNII-5K0WKD513R

Systematic Names

  • 12-Oxo-5-alpha-spirostan-3-beta-yl acetate
  • 5alpha,25D-Spirostan-12-one, 3beta-hydroxy-, acetate
  • Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)-

Registry Numbers

CAS Registry Number

  • 915-35-5

FDA UNII

  • 5K0WKD513R

Other Registry Numbers

  • 11034-95-0
  • 27040-14-8
  • 72341-18-5

System Generated Number

  • 0000915355

Structure Descriptors

InChI

1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

InChIKey

CVKZWRTYHCDWTE-RSEFXUKDSA-N

Smiles

C1(C[C@H]2[C@H]([C@@H]3C[C@H]4[C@@H]([C@H](C)[C@@]5(OC[C@@H](CC5)C)O4)[C@@]13C)CC[C@@H]1[C@@]2(CC[C@@H](OC(=O)C)C1)C)=O