β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-

CAS Registry Number®

96158-13-3

CAS Name

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-

Molecular Formula

C46H72O17

Molecular Mass

897.05

Cite this Page

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96158-13-3 (retrieved 2024-11-25) (CAS RN: 96158-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)

InChIKey

InChIKey=XQGKHFSVPNPHAB-UHFFFAOYSA-N

SMILES

CC12C3(C)C(C4C(C(O)=O)(CC3)CCC(C)(C)C4)=CCC1C5(C)C(CC2)C(C)(C)C(OC6C(OC7C(O)C(O)C(O)CO7)C(OC8C(O)C(O)C(O)CO8)C(O)C(C(O)=O)O6)CC5

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC54C)C2(C)C)C(OC7OCC(O)C(O)C7O)C(OC8OCC(O)C(O)C8O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • Momordin Ie

CAS INSIGHTSTM
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