β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-

CAS Registry Number®

354552-02-6

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-

Molecular Formula

C47H68O21

Molecular Mass

969.03

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=354552-02-6 (retrieved 2024-11-22) (CAS RN: 354552-02-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H68O21/c1-41(2)13-15-46(39(60)67-36-30(54)29(53)28(52)23(18-48)63-36)16-14-44(5)21(22(46)17-41)7-8-25-42(3)11-10-26(43(4,20-49)24(42)9-12-45(25,44)6)64-37-31(55)32-33(34(65-37)35(56)57)68-47(61,38(58)59)40(66-32)62-19-27(50)51/h7,20,22-26,28-34,36-37,40,48,52-55,61H,8-19H2,1-6H3,(H,50,51)(H,56,57)(H,58,59)/t22-,23+,24+,25+,26-,28+,29-,30+,31+,32+,33-,34-,36-,37+,40-,42-,43-,44+,45+,46-,47-/m0/s1

InChIKey

InChIKey=BZWGXDPFKVWKCE-BFIXMZBISA-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]7[C@H](O)[C@@]8([C@@]([C@@H](C(O)=O)O7)(O[C@](C(O)=O)(O)[C@@H](OCC(O)=O)O8)[H])[H])CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C3OC(O)(C(=O)O)C(OCC(=O)O)OC3C2O)CCC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23,28-dioxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-
  • Basellasaponin B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration