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

CAS Registry Number®

134361-65-2

CAS Name

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

Molecular Formula

C50H70O16

Molecular Mass

927.08

Cite this Page

D-Glucopyranosiduronic acid, (3β,16α)-16-hydroxy-28-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-D-xylopyranosyl]oxy]-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=134361-65-2 (retrieved 2024-11-05) (CAS RN: 134361-65-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H70O16/c1-45(2)20-21-50(44(61)66-43-40(35(55)29(52)24-62-43)64-34(54)15-10-25-8-11-26(51)12-9-25)28(22-45)27-13-14-31-47(5)18-17-33(63-42-38(58)36(56)37(57)39(65-42)41(59)60)46(3,4)30(47)16-19-48(31,6)49(27,7)23-32(50)53/h8-13,15,28-33,35-40,42-43,51-53,55-58H,14,16-24H2,1-7H3,(H,59,60)/t28-,29+,30-,31+,32+,33-,35-,36-,37-,38+,39-,40+,42?,43?,47-,48+,49+,50+/m0/s1

InChIKey

InChIKey=WXQNYXVJRJEBPT-HYOSVDHWSA-N

SMILES

C(OC1[C@H](OC(C=CC2=CC=C(O)C=C2)=O)[C@@H](O)[C@H](O)CO1)(=O)[C@]34[C@](C=5[C@@](C)(C[C@H]3O)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)(C(C)(C)[C@@H](OC8O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]8O)CC7)[H])[H])(CC(C)(C)CC4)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7OC(=O)C=CC8=CC=C(O)C=C8)C(O)CC54C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

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

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles