PubChemLite - Ginkgolide c (C20H24O11)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O

InChI

InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1

InChIKey

AMOGMTLMADGEOQ-DTDWCABLSA-N

Compound name

(1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

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]+	441.13915	181.8
[M+Na]+	463.12109	190.3
[M-H]-	439.12459	190.1
[M+NH4]+	458.16569	204.4
[M+K]+	479.09503	190.9
[M+H-H2O]+	423.12913	193.0
[M+HCOO]-	485.13007	187.3
[M+CH3COO]-	499.14572	225.1
[M+Na-2H]-	461.10654	202.2
[M]+	440.13132	190.3
[M]-	440.13242	190.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.13915

181.8

[M+Na]+

463.12109

190.3

[M-H]-

439.12459

190.1

[M+NH4]+

458.16569

204.4

[M+K]+

479.09503

190.9

[M+H-H2O]+

423.12913

193.0

[M+HCOO]-

485.13007

187.3

[M+CH3COO]-

499.14572

225.1

[M+Na-2H]-

461.10654

202.2

[M]+

440.13132

190.3

[M]-

440.13242

190.3

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

Ginkgolide c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe