PubChemLite - Ginkgolide j (C20H24O10)

Structural Information

Molecular Formula

SMILES

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O

InChI

InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3

InChIKey

LMEHVEUFNRJAAV-UHFFFAOYSA-N

Compound name

8-tert-butyl-6,9,17-trihydroxy-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]+	425.14421	170.7
[M+Na]+	447.12615	172.1
[M+NH4]+	442.17075	179.9
[M+K]+	463.10009	179.1
[M-H]-	423.12965	171.7
[M+Na-2H]-	445.11160	168.0
[M]+	424.13638	171.3
[M]-	424.13748	171.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.14421

170.7

[M+Na]+

447.12615

172.1

[M+NH4]+

442.17075

179.9

[M+K]+

463.10009

179.1

[M-H]-

423.12965

171.7

[M+Na-2H]-

445.11160

168.0

[M]+

424.13638

171.3

[M]-

424.13748

171.3

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

Ginkgolide j

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe