Ilexgenin A

CAS Registry Number®

108524-94-3

CAS Name

Ilexgenin A

Molecular Formula

C30H46O6

Molecular Mass

502.68

Cite this Page

Ilexgenin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108524-94-3 (retrieved 2024-11-22) (CAS RN: 108524-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21+,22-,25-,26-,27-,28-,29-,30+/m1/s1

InChIKey

InChIKey=UIEGOKVPCRANSU-XUFMHOFVSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@]3(C)O)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O)[C@@]5(C(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(O)C(C(=O)O)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Urs-12-ene-23,28-dioic acid, 3,19-dihydroxy-, (3β,4β)-
  • (3β,4β)-3,19-Dihydroxyurs-12-ene-23,28-dioic acid
  • Myriaboric acid
  • Ilexgenin A
  • Ilicin A

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CAS INSIGHTSTM
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