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Substance Name: Senegenin 2-acetate
RN: 107984-22-5
UNII: 06X561055P
InChIKey: FBSVDAKIWRYIJS-WYSCZKHTSA-N

Molecular Formula

  • C32-H47-Cl-O7

Molecular Weight

  • 579.1693
 
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Names and Synonyms

Name of Substance

  • Senegenin 2-acetate

Synonyms

  • 27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2beta,3beta,4alpha,12alpha)-, 2-acetate
  • Senegenin 2-acetate
  • Senegenin acetate [MI]
  • UNII-06X561055P

Registry Numbers

CAS Registry Number

  • 107984-22-5

FDA UNII

  • 06X561055P

System Generated Number

  • 0107984225

Structure Descriptors

InChI

1S/C32H47ClO7/c1-17(34)40-21-15-30(5)22(31(6,25(21)35)26(36)37)8-9-29(4)19-7-10-32(27(38)39)12-11-28(2,3)14-20(32)24(19)18(16-33)13-23(29)30/h18,20-23,25,35H,7-16H2,1-6H3,(H,36,37)(H,38,39)/t18-,20+,21+,22-,23+,25+,29+,30+,31+,32-/m1/s1

InChIKey

FBSVDAKIWRYIJS-WYSCZKHTSA-N

Smiles

CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@]3([C@@H]2C[C@@H](C4=C3CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CCl)C)[C@]([C@H]1O)(C)C(=O)O)C