3-O-β-D-Glucopyranosyl quinovic acid 28-β-D-glucopyranosyl ester

CAS Registry Number®

104055-77-8

CAS Name

3-O-β-D-Glucopyranosyl quinovic acid 28-β-D-glucopyranosyl ester

Molecular Formula

C42H66O15

Molecular Mass

810.97

Cite this Page

3-O-β-D-Glucopyranosyl quinovic acid 28-β-D-glucopyranosyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104055-77-8 (retrieved 2025-08-17) (CAS RN: 104055-77-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1

InChIKey

InChIKey=LDCLXZSKVDYDBF-DTJUAWDLSA-N

SMILES

C(O)(=O)[C@]12C([C@]3([C@@](C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=O)(CC1)CC[C@@H](C)[C@@H]3C)[H])=CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[H])[H]

Canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC31C)C6C(C)C(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CC2

Other Names for this Substance

  • Urs-12-ene-27,28-dioic acid, 3-(β-D-glucopyranosyloxy)-, 28-β-D-glucopyranosyl ester, (3β)-
  • 3-O-β-D-Glucopyranosyl quinovic acid 28-β-D-glucopyranosyl ester
  • Quinovic acid 3-O-β-D-glucopyranoside 28-O-β-D-glucopyranosyl ester
  • 3-O-β-D-Glucopyranosylquinovic acid 28-O-β-D-glucopyranosyl ester

Deleted or Replaced CAS Registry Numbers

124727-14-6

CAS INSIGHTSTM
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