29-Methyl (3β,4α,20β)-23-hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioate

CAS Registry Number®

65608-00-6

CAS Name

29-Methyl (3β,4α,20β)-23-hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioate

Molecular Formula

C36H56O10

Molecular Mass

648.82

Cite this Page

29-Methyl (3β,4α,20β)-23-hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65608-00-6 (retrieved 2024-11-22) (CAS RN: 65608-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)/t21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33-,34+,35+,36-/m0/s1

InChIKey

InChIKey=NSIBODJHRJTEFG-VUDYRQTBSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@](C)([C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)CC5)[H])[H])CC1)(C[C@](C(OC)=O)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C(=O)OC)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 23-hydroxy-3-(β-D-xylopyranosyloxy)-, 29-methyl ester, (3β,4α,20β)-
  • 29-Methyl (3β,4α,20β)-23-hydroxy-3-(β-D-xylopyranosyloxy)olean-12-ene-28,29-dioate
  • Phytolaccoside A

Deleted or Replaced CAS Registry Numbers

66184-93-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration