PubChemLite - Leptoside (C30H42O10)

Structural Information

Molecular Formula

SMILES

CC1C(C(CC(O1)OC2CCC3(C(C2)CC4C5C3C(=O)C(C6(C5(C(O4)CC6C7=CC(=O)CO7)O)C)O)C)OC)O

InChI

InChI=1S/C30H42O10/c1-13-25(32)20(36-4)11-22(38-13)39-16-5-6-28(2)14(7-16)8-19-23-24(28)26(33)27(34)29(3)17(18-9-15(31)12-37-18)10-21(40-19)30(23,29)35/h9,13-14,16-17,19-25,27,32,34-35H,5-8,10-12H2,1-4H3

InChIKey

HAIZPCLVGBYWBK-UHFFFAOYSA-N

Compound name

11,16-dihydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-8,12-dimethyl-13-(4-oxofuran-2-yl)-18-oxapentacyclo[13.2.1.03,8.09,17.012,16]octadecan-10-one

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]+	563.28508	220.9
[M+Na]+	585.26702	223.8
[M-H]-	561.27052	228.3
[M+NH4]+	580.31162	234.2
[M+K]+	601.24096	223.2
[M+H-H2O]+	545.27506	219.2
[M+HCOO]-	607.27600	217.0
[M+CH3COO]-	621.29165	225.9
[M+Na-2H]-	583.25247	215.5
[M]+	562.27725	221.5
[M]-	562.27835	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.28508

220.9

[M+Na]+

585.26702

223.8

[M-H]-

561.27052

228.3

[M+NH4]+

580.31162

234.2

[M+K]+

601.24096

223.2

[M+H-H2O]+

545.27506

219.2

[M+HCOO]-

607.27600

217.0

[M+CH3COO]-

621.29165

225.9

[M+Na-2H]-

583.25247

215.5

[M]+

562.27725

221.5

[M]-

562.27835

221.5

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

Leptoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe