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Substance Name: Jegosapogenol A
RN: 13844-01-4
UNII: EXS7QH1WV9
InChIKey: AYDKOFQQBHRXEW-AAUPIIFFSA-N

Note

  • Isolated from the dried carpophore of Xanthoceras sorbifolia Bunge.

Molecular Formula

  • C30-H50-O5

Molecular Weight

  • 490.72
 
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Names and Synonyms

Results Name

  • Jegosapogenol A

Name of Substance

  • 22-O-Acetyl-21-O-(4'-O-angeloyl)-beta-d-fucopyranosyl theasapogenol B

Synonyms

  • (3beta,16alpha,21beta,22alpha)Olean-12-ene-3,16,21,22,28-pentol
  • Careyagenol A
  • Escinidin
  • Giganteumgenin M
  • Jegosapogenol
  • Jegosapogenol A
  • Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol
  • Proschiwalligenin PB1
  • Saniculagenin D
  • Theasapogenol B
  • UNII-EXS7QH1WV9

Systematic Name

  • Olean-12-ene-3,16,21,22,28-pentol, (3beta,16alpha,21beta,22alpha)-

Registry Numbers

CAS Registry Number

  • 13844-01-4

FDA UNII

  • EXS7QH1WV9

System Generated Number

  • 0013844014

Structure Descriptors

InChI

1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

InChIKey

AYDKOFQQBHRXEW-AAUPIIFFSA-N

Smiles

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O