D-Glucopyranosiduronic acid, (3β,16α)-28-[[2-O-[(2E)-3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl

CAS Registry Number®

134361-67-4

CAS Name

D-Glucopyranosiduronic acid, (3β,16α)-28-[[2-O-[(2E)-3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl

Molecular Formula

C57H82O22

Molecular Mass

1119.25

Cite this Page

D-Glucopyranosiduronic acid, (3β,16α)-28-[[2-O-[(2E)-3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134361-67-4 (retrieved 2024-11-05) (CAS RN: 134361-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H82O22/c1-52(2)19-20-57(51(71)79-50-46(38(62)29(59)25-73-50)77-37(61)14-10-26-9-12-30(31(21-26)72-8)74-48-43(67)40(64)39(63)32(24-58)75-48)28(22-52)27-11-13-34-54(5)17-16-36(76-49-44(68)41(65)42(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)60/h9-12,14,21,28-29,32-36,38-46,48-50,58-60,62-68H,13,15-20,22-25H2,1-8H3,(H,69,70)

InChIKey

InChIKey=VPRXKSGJJTXNTG-UHFFFAOYSA-N

SMILES

C(OC1C(OC(C=CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=O)C(O)C(O)CO1)(=O)C45C(C=6C(C)(CC4O)C7(C)C(CC6)C8(C)C(CC7)C(C)(C)C(OC9OC(C(O)=O)C(O)C(O)C9O)CC8)CC(C)(C)CC5

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7OC(=O)C=CC8=CC=C(OC9OC(CO)C(O)C(O)C9O)C(OC)=C8)C(O)CC5(C)C4(C)CCC3C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • D-Glucopyranosiduronic acid, (3β,16α)-28-[[2-O-[(2E)-3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
  • D-Glucopyranosiduronic acid, [3β,16α,28(E)]-28-[[2-O-[3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
  • Oleanane, D-glucopyranosiduronic acid deriv.
  • Tragopogonsaponin D

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