PubChemLite - Lucyoside n (C36H58O10)

Structural Information

Molecular Formula

SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)O)C)C)(C)CO)OC6C(C(C(C(O6)CO)O)O)O)C)C

InChI

InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44)

InChIKey

JAJHTUPNVRLALX-UHFFFAOYSA-N

Compound name

3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	651.41028	240.4
[M+Na]+	673.39222	242.2
[M+NH4]+	668.43682	250.4
[M+K]+	689.36616	252.2
[M-H]-	649.39572	240.2
[M+Na-2H]-	671.37767	262.1
[M]+	650.40245	240.9
[M]-	650.40355	240.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

651.41028

240.4

[M+Na]+

673.39222

242.2

[M+NH4]+

668.43682

250.4

[M+K]+

689.36616

252.2

[M-H]-

649.39572

240.2

[M+Na-2H]-

671.37767

262.1

[M]+

650.40245

240.9

[M]-

650.40355

240.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lucyoside n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe