β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

139742-12-4

CAS Name

β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C47H70O20

Molecular Mass

955.05

Cite this Page

β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139742-12-4 (retrieved 2024-11-05) (CAS RN: 139742-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H70O20/c1-19-9-12-47(42(61)67-40-32(56)30(54)28(52)24(17-48)63-40)14-13-45(5)21(22(47)15-19)7-8-26-43(3)16-23(50)37(44(4,18-49)25(43)10-11-46(26,45)6)66-41-34(58)35(33(57)36(65-41)38(59)60)64-39-31(55)29(53)27(51)20(2)62-39/h7,18,20,22-37,39-41,48,50-58H,1,8-17H2,2-6H3,(H,59,60)

InChIKey

InChIKey=LDBTUYKNDDNDJO-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=O)(C)C(OC7C(O)C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(C(O)=O)O7)C(O)C6)CC(=C)CC3

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(=C)CCC7(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • Amaranthus saponin IV

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles