PubChemLite - (3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-trimethylcholest-9(11)-en-3-ol (C30H52O)

Structural Information

Molecular Formula

SMILES

CC1C2CCC3C(=CCC4(C3(CCC4C(C)CCC(C)C(C)C)C)C)C2(CCC1O)C

InChI

InChI=1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19-24,26-27,31H,9-13,15-18H2,1-8H3

InChIKey

NWPXYRKVJLBSQU-UHFFFAOYSA-N

Compound name

17-(5,6-dimethylheptan-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[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]+	429.40910	214.9
[M+Na]+	451.39104	216.4
[M-H]-	427.39454	216.2
[M+NH4]+	446.43564	234.8
[M+K]+	467.36498	210.1
[M+H-H2O]+	411.39908	208.8
[M+HCOO]-	473.40002	216.9
[M+CH3COO]-	487.41567	235.8
[M+Na-2H]-	449.37649	207.0
[M]+	428.40127	208.9
[M]-	428.40237	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.40910

214.9

[M+Na]+

451.39104

216.4

[M-H]-

427.39454

216.2

[M+NH4]+

446.43564

234.8

[M+K]+

467.36498

210.1

[M+H-H2O]+

411.39908

208.8

[M+HCOO]-

473.40002

216.9

[M+CH3COO]-

487.41567

235.8

[M+Na-2H]-

449.37649

207.0

[M]+

428.40127

208.9

[M]-

428.40237

208.9

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

(3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-trimethylcholest-9(11)-en-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe