(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

CAS Registry Number®

96158-12-2

CAS Name

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

Molecular Formula

C52H82O22

Molecular Mass

1059.19

Cite this Page

(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96158-12-2 (retrieved 2024-10-21) (CAS RN: 96158-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)32(58)26(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-40(73-43-35(61)31(57)25(55)21-68-43)38(37(63)39(72-45)41(64)65)71-42-34(60)30(56)24(54)20-67-42/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)

InChIKey

InChIKey=JGWOUOSRJOOXAL-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(OC8C(O)C(O)C(O)CO8)C(OC9C(O)C(O)C(O)CO9)C(O)C(C(O)=O)O7)CC6)CC(C)(C)CC3

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(OC8OCC(O)C(O)C8O)C(OC9OCC(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid
  • Hemsloside Ma 2
  • Momordin IIe

Deleted or Replaced CAS Registry Numbers

117968-80-6

CAS INSIGHTSTM
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