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Substance Name: Eryngiumgenin A
RN: 22739-30-6
InChIKey: JIXNEPDMGSNJOM-YIFYLPSUSA-N

Note

  • A Beta-amyrin analog.

Molecular Formula

  • C35-H56-O6

Molecular Weight

  • 572.8214
 
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Names and Synonyms

Name of Substance

  • Eryngiumgenin A

Systematic Name

  • Olean-12-ene-3,15,16,22,28-pentol, 22-(2-methyl-2-butenoate), (3beta,15alpha,16alpha,22alpha)- (VAN)

Registry Numbers

CAS Registry Number

  • 22739-30-6

System Generated Number

  • 0022739306

Structure Descriptors

InChI

1S/C35H56O6/c1-10-20(2)29(40)41-26-18-30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)27(38)28(39)35(22,26)19-36/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10+/t22-,23-,24+,25-,26-,27-,28+,32-,33+,34-,35+/m0/s1

InChIKey

JIXNEPDMGSNJOM-YIFYLPSUSA-N

Smiles

C\C=C(/C)\C(=O)O[C@H]1CC(C)(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@@H](O)[C@@H](O)[C@@]12CO