D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl

CAS Registry Number®

134361-77-6
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CAS Name

D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl

Molecular Formula

C63H94O27

Molecular Mass

1283.40

Cite this Page

D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxopropyl]arabinopyranosyl]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=134361-77-6 (retrieved 2024-09-20) (CAS RN: 134361-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C63H94O27/c1-58(2)19-20-63(29(22-58)28-11-13-36-60(5)17-16-38(86-55-48(77)44(73)45(74)50(89-55)52(78)79)59(3,4)35(60)15-18-61(36,6)62(28,7)23-37(63)67)57(80)90-56-51(49(30(66)26-82-56)88-54-47(76)43(72)41(70)34(25-65)85-54)87-39(68)14-10-27-9-12-31(32(21-27)81-8)83-53-46(75)42(71)40(69)33(24-64)84-53/h9,11-12,21,29-30,33-38,40-51,53-56,64-67,69-77H,10,13-20,22-26H2,1-8H3,(H,78,79)

InChIKey

InChIKey=HZIXJRZPQXXBJB-UHFFFAOYSA-N

SMILES

C(OC1C(OC(CCC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=O)C(OC4OC(CO)C(O)C(O)C4O)C(O)CO1)(=O)C56C(C=7C(C)(CC5O)C8(C)C(CC7)C9(C)C(CC8)C(C)(C)C(OC%10OC(C(O)=O)C(O)C(O)C%10O)CC9)CC(C)(C)CC6

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC(=O)CCC9=CC=C(OC%10OC(CO)C(O)C(O)C%10O)C(OC)=C9)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-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
  • Oleanane, D-glucopyranosiduronic acid deriv.