Abrusoside A

CAS Registry Number®

124962-06-7
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CAS Name

Abrusoside A

Molecular Formula

C36H54O10

Molecular Mass

646.81

Cite this Page

Abrusoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124962-06-7 (retrieved 2024-09-20) (CAS RN: 124962-06-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1

InChIKey

InChIKey=CJHYXUPCGHKJOO-AYOTXDKCSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@]([C@@](C(O)=O)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC5)(CC3)[H])CC[C@]1(C)[C@@]([C@H](C)[C@]7(OC(=O)C(C)=CC7)[H])(CC2)[H])[H]

Canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C)C4CCC5C(C(=O)O)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC75CC47CCC23C

Other Names for this Substance

  • 9,19-Cyclolanost-24-ene-26,28-dioic acid, 3-(β-D-glucopyranosyloxy)-22-hydroxy-, δ-lactone, (3β,4α,22S)-
  • Abrusoside A
  • (+)-Abrusoside A