PubChemLite - 24-propylidenecholest-5-en-3beta-ol (C30H50O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-

InChIKey

LVMOSMRIAUDGQC-UYOCIXKTSA-N

Compound name

10,13-dimethyl-17-[(Z)-5-propan-2-yloct-5-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]+	427.39345	217.0
[M+Na]+	449.37539	216.6
[M-H]-	425.37889	217.7
[M+NH4]+	444.41999	234.6
[M+K]+	465.34933	209.5
[M+H-H2O]+	409.38343	210.2
[M+HCOO]-	471.38437	219.2
[M+CH3COO]-	485.40002	233.6
[M+Na-2H]-	447.36084	208.2
[M]+	426.38562	209.3
[M]-	426.38672	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

217.0

[M+Na]+

449.37539

216.6

[M-H]-

425.37889

217.7

[M+NH4]+

444.41999

234.6

[M+K]+

465.34933

209.5

[M+H-H2O]+

409.38343

210.2

[M+HCOO]-

471.38437

219.2

[M+CH3COO]-

485.40002

233.6

[M+Na-2H]-

447.36084

208.2

[M]+

426.38562

209.3

[M]-

426.38672

209.3

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

24-propylidenecholest-5-en-3beta-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe