β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-

CAS Registry Number®

178894-84-3

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-

Molecular Formula

C53H84O24

Molecular Mass

1105.22

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178894-84-3 (retrieved 2024-11-08) (CAS RN: 178894-84-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-45-37(65)34(62)32(60)26(19-55)72-45)16-14-51(5)22(23(53)17-48)7-8-28-49(3)11-10-29(50(4,21-56)27(49)9-12-52(28,51)6)73-46-40(75-43-35(63)30(58)24(57)20-70-43)38(66)39(41(76-46)42(67)68)74-44-36(64)33(61)31(59)25(18-54)71-44/h7,23-41,43-46,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,43-,44-,45-,46+,49-,50-,51+,52+,53-/m0/s1

InChIKey

InChIKey=BLVIPBBMPJFHFA-PKHHPBGWSA-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)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[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)CCC54C)C2(C)CO)C(OC8OCC(O)C(O)C8O)C(O)C1OC9OC(CO)C(O)C(O)C9O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-
  • Tuberoside C
  • Tuberoside C (Ullucus)

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles