(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid

CAS Registry Number®

1293918-35-0

CAS Name

(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid

Molecular Formula

C53H84O23

Molecular Mass

1089.22

Cite this Page

(3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1293918-35-0 (retrieved 2024-11-22) (CAS RN: 1293918-35-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1

InChIKey

InChIKey=PNVAFUMGIGXLFN-IJUOOPMQSA-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)(C[C@H]2O)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)[C@@H](O)[C@@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

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)C(O)CC54C)C2(C)C)C(O)C(OC8OCC(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,16α)-28-(β-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-
  • (3β,16α)-28-(β-D-Glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→3)-β-D-glucopyranosiduronic acid
  • Gordonoside M

CAS INSIGHTSTM
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