(2β,3β,4α)-28-(β-D-Glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

274677-98-4

CAS Name

(2β,3β,4α)-28-(β-D-Glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid

Molecular Formula

C42H64O16

Molecular Mass

824.95

Cite this Page

(2β,3β,4α)-28-(β-D-Glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=274677-98-4 (retrieved 2024-11-22) (CAS RN: 274677-98-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H64O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,18,20-32,34-35,43,45-51H,8-17H2,1-6H3,(H,52,53)/t20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1

InChIKey

InChIKey=QUKCKUMUBOPETR-RQBYSGHOSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](C=O)(C)[C@@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)C6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)CC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC13

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl
  • (2β,3β,4α)-28-(β-D-Glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl β-D-glucopyranosiduronic acid
  • Oleragenoside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration