Betavulgaroside I

CAS Registry Number®

158511-55-8

CAS Name

Betavulgaroside I

Molecular Formula

C47H70O20

Molecular Mass

955.05

Cite this Page

Betavulgaroside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158511-55-8 (retrieved 2025-02-21) (CAS RN: 158511-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H70O20/c1-41(2)14-16-46(39(59)66-36-30(53)29(52)28(51)23(19-48)62-36)17-15-44(6)21(22(46)18-41)8-9-25-43(5)12-11-26(42(3,4)24(43)10-13-45(25,44)7)63-37-31(54)32-33(34(64-37)35(55)56)67-47(60,38(57)58)40(65-32)61-20-27(49)50/h8,22-26,28-34,36-37,40,48,51-54,60H,9-20H2,1-7H3,(H,49,50)(H,55,56)(H,57,58)

InChIKey

InChIKey=UOGGJUUNBPSGHY-UHFFFAOYSA-N

SMILES

C(OC1OC(CO)C(O)C(O)C1O)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(O)C8C(C(C(O)=O)O7)OC(C(O)=O)(O)C(OCC(O)=O)O8)CC6)CC(C)(C)CC3

Canonical SMILES

O=C(O)COC1OC2C(O)C(OC(C(=O)O)C2OC1(O)C(=O)O)OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC65C)C3(C)C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-
  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3,4-O-[2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-, [3(1S,2R)]-
  • 5H-Pyrano[3,4-b]-1,4-dioxin, β-D-glucopyranosiduronic acid deriv.
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3,4-O-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl]-β-D-glucopyranosiduronic acid

View All

CAS INSIGHTSTM
Samples on a microarray, illustration