1-O-[(3β,5ξ,9ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

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Systematic / IUPAC Name: 1-O-[(3β,5ξ,9ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

ID: Reference8113

Other Names: β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy]-28-oxoolean-12-en-28-yl]-

Formula: C54H86O23

Spectral Data

1-O-[(3β,5ξ,9ξ)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 786
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 7/26/2018 12:46:35 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C54H86O23/c1-22-30(57)33(60)36(63)44(70-22)74-40-39(66)41(75-45-37(64)34(61)31(58)25(20-55)71-45)47(76-42(40)43(67)68)73-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-24-19-49(2,3)15-17-54(24,18-16-52(23,53)7)48(69)77-46-38(65)35(62)32(59)26(21-56)72-46/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,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
InChI Key AYOUXYCHXQUGRS-DGUYMCJHSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)O)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O
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Other Names β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-3-[[O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy]-28-oxoolean-12-en-28-yl]-

In Other Databases

ChemSpider 29814774
PubChem 57509375