Quillaic acid 3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid}

CAS Registry Number®

97892-86-9

CAS Name

Quillaic acid 3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid}

Molecular Formula

C47H72O20

Molecular Mass

957.06

Cite this Page

Quillaic acid 3-O-{β-D-xylopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid}.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97892-86-9 (retrieved 2024-11-22) (CAS RN: 97892-86-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-36(67-39-32(56)30(54)29(53)23(17-48)63-39)34(33(57)35(66-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)/t21-,22+,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,43-,44-,45+,46+,47+/m0/s1

InChIKey

InChIKey=KUOJCJXXMJCHIN-OOIFEJPQSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OCC(O)C(O)C3O)C2OC4OC(CO)C(O)C(O)C4O)CCC5(C)C1CCC6(C)C5CC=C7C8CC(C)(C)CCC8(C(=O)O)C(O)CC76C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α,16α)-17-carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β,4α,16α)-17-Carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
  • QH 957
  • QS L1

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Deleted or Replaced CAS Registry Numbers

647007-84-9, 185962-99-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration