β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-
CAS Registry Number®
CAS Name
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-Molecular Formula
C53H84O23Molecular Mass
1089.22Cite this Page
β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-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=178894-83-2 (retrieved ) (CAS RN: 178894-83-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-43-35(62)30(57)24(56)21-69-43)38(65)39(41(75-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
InChIKey
InChIKey=BQZGQZMBLHLJIO-RBYSZVJYSA-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]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)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)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)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-
- Tuberoside B
- Tuberoside B (Ullucus)
