PubChemLite - (3beta,22e)-26,27-dinorergosta-5,22-dien-3-ol (C26H42O)

Structural Information

Molecular Formula

SMILES

CC(C)/C=C\C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI

InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6-

InChIKey

BKWBRNDZAJHCMT-SREVYHEPSA-N

Compound name

10,13-dimethyl-17-[(Z)-5-methylhex-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-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]+	371.33086	199.8
[M+Na]+	393.31280	201.7
[M-H]-	369.31630	201.5
[M+NH4]+	388.35740	220.0
[M+K]+	409.28674	194.8
[M+H-H2O]+	353.32084	193.3
[M+HCOO]-	415.32178	204.7
[M+CH3COO]-	429.33743	221.1
[M+Na-2H]-	391.29825	194.3
[M]+	370.32303	191.5
[M]-	370.32413	191.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.33086

199.8

[M+Na]+

393.31280

201.7

[M-H]-

369.31630

201.5

[M+NH4]+

388.35740

220.0

[M+K]+

409.28674

194.8

[M+H-H2O]+

353.32084

193.3

[M+HCOO]-

415.32178

204.7

[M+CH3COO]-

429.33743

221.1

[M+Na-2H]-

391.29825

194.3

[M]+

370.32303

191.5

[M]-

370.32413

191.5

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

(3beta,22e)-26,27-dinorergosta-5,22-dien-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe