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

CAS Registry Number®

134361-69-6

CAS Name

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

Molecular Formula

C56H82O21

Molecular Mass

1091.24

Cite this Page

D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-(4-hydroxyphenyl)-1-oxopropyl]-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=134361-69-6 (retrieved 2024-12-23) (CAS RN: 134361-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H82O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-9,11-13,29-35,37-45,47-49,57-60,62-67H,10,14-25H2,1-7H3,(H,68,69)

InChIKey

InChIKey=GDOFBGFEZUPKAG-UHFFFAOYSA-N

SMILES

C(OC1C(OC(CCC2=CC=C(O)C=C2)=O)C(OC3OC(CO)C(O)C(O)C3O)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)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC(=O)CCC9=CC=C(O)C=C9)C(O)CC54C)C2(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-hydroxyphenyl)-1-oxopropyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
  • Oleanane, D-glucopyranosiduronic acid deriv.
  • Tragopogonsaponin G

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.