PubChemLite - Sesterfisherol (C25H42O)

Structural Information

Molecular Formula

SMILES

C[C@H]1CC[C@H]\2[C@@H](CC/C2=C(/[C@@]3([C@@H]1C[C@]4(CC[C@@H]([C@@H]4C3)C(C)C)C)O)\C)C

InChI

InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1

InChIKey

VQMHZILKNHUAMP-AISFCYSSSA-N

Compound name

(1R,2Z,6R,7S,10S,11R,13R,16R,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-2-en-1-ol

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]+	359.33086	209.9
[M+Na]+	381.31280	213.4
[M-H]-	357.31630	211.3
[M+NH4]+	376.35740	219.8
[M+K]+	397.28674	210.8
[M+H-H2O]+	341.32084	205.8
[M+HCOO]-	403.32178	212.3
[M+CH3COO]-	417.33743	210.8
[M+Na-2H]-	379.29825	201.3
[M]+	358.32303	206.5
[M]-	358.32413	206.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.33086

209.9

[M+Na]+

381.31280

213.4

[M-H]-

357.31630

211.3

[M+NH4]+

376.35740

219.8

[M+K]+

397.28674

210.8

[M+H-H2O]+

341.32084

205.8

[M+HCOO]-

403.32178

212.3

[M+CH3COO]-

417.33743

210.8

[M+Na-2H]-

379.29825

201.3

[M]+

358.32303

206.5

[M]-

358.32413

206.5

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

Sesterfisherol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe