Oleanolic acid 3-O-β-D-glucopyranoside

CAS Registry Number®

3391-80-8
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CAS Name

Oleanolic acid 3-O-β-D-glucopyranoside

Molecular Formula

C36H58O8

Molecular Mass

618.84

Cite this Page

Oleanolic acid 3-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3391-80-8 (retrieved 2024-05-18) (CAS RN: 3391-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-215 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1

InChIKey

InChIKey=ZNFRITHWVZXJRK-YHFBEQRYSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-, (3β)-
  • Olean-12-en-28-oic acid, 3β-(β-D-glucopyranosyloxy)-
  • Glucopyranoside, oleanolic acid, β-D-
  • (3β)-3-(β-D-Glucopyranosyloxy)olean-12-en-28-oic acid
  • Oleanolic acid glucoside

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Deleted or Replaced CAS Registry Numbers

119683-96-4, 67770-54-1

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