(2β,3β,4α,20β)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid

CAS Registry Number®

65649-36-7
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CAS Name

(2β,3β,4α,20β)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid

Molecular Formula

C35H54O11

Molecular Mass

650.80

Cite this Page

(2β,3β,4α,20β)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65649-36-7 (retrieved 2024-06-26) (CAS RN: 65649-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23+,24-,25+,26-,27-,30-,31-,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=UERRXLUEVHKNBY-XLQRJJHLSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@@H](O)C5)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C(=O)O)CCC3(C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1)C

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(β-D-xylopyranosyloxy)-, (2β,3β,4α,20β)-
  • (2β,3β,4α,20β)-2,23-Dihydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid
  • Phytolaccoside G
  • Esculentoside E

Deleted or Replaced CAS Registry Numbers

65497-09-8

CAS INSIGHTSTM
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