β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-
CAS Registry Number®
CAS Name
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-Molecular Formula
C54H86O24Molecular Mass
1119.25Cite this Page
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=29660-94-4 (retrieved ) (CAS RN: 29660-94-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)40(75-44-36(64)33(61)30(58)24(19-55)71-44)41(42(77-47)43(68)69)76-45-37(65)34(62)31(59)25(20-56)72-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1
InChIKey
InChIKey=PXGJYJGHNZFNDH-NTSFPTSJSA-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(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[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)C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1OC9OC(CO)C(O)C(O)C9O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-
- Olean-12-en-28-oic acid, 3β-[(O-galactosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranuronosyl)oxy]-, D-glucopyranosyl ester
Deleted or Replaced CAS Registry Numbers
124366-36-5, 26020-28-0, 26020-16-6