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Substance Name: Barrigenol A1
RN: 15448-03-0
InChIKey: MBKUYULYIBPFSF-RIQJFFIGSA-N

Molecular Formula

  • C30-H50-O5

Molecular Weight

  • 490.72
 
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Names and Synonyms

Results Name

  • Barrigenol A1

Synonyms

  • A1-Barrigenol
  • Barrigenol A1
  • Proschiwalligenin PA3

Systematic Names

  • Olean-12-ene-3,15,16,22,28-pentol, (3beta,15alpha,16alpha,22alpha)-
  • Olean-12-ene-3beta,15alpha,16alpha,22alpha,28-pentol

Registry Numbers

CAS Registry Number

  • 15448-03-0

System Generated Number

  • 0015448030

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)23(34)24(35)30(18,16-31)22(33)15-25/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19?,20-,21+,22+,23+,24-,27+,28-,29+,30-/m1/s1

InChIKey

MBKUYULYIBPFSF-RIQJFFIGSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)[C@H]([C@H]([C@@]5(CO)[C@H](CC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O)O)O)O