(3beta,4alpha,5alpha,24z)-4-methylstigmasta-8(14),24(28)-dien-3-ol (C30H50O)

Structural Information

Molecular Formula

SMILES

C/C=C(/CCC(C)C1CCC2=C3CCC4C(C(CCC4(C3CCC12C)C)O)C)\C(C)C

InChI

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

InChIKey

AKVZDXJZUDQNTI-UYOCIXKTSA-N

Compound name

4,10,13-trimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-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]+	427.393446	215.7
[M+Na]+	449.375388	216.3
[M-H]-	425.378894	216.8
[M+NH4]+	444.419993	233.7
[M+K]+	465.349328	209.3
[M+H-H2O]+	409.383430	209.4
[M+HCOO]-	471.384371	218.0
[M+CH3COO]-	485.400021	234.9
[M+Na-2H]-	447.360836	206.6
[M]+	426.38562142	208.5
[M]-	426.38671858	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.393446

215.7

[M+Na]+

449.375388

216.3

[M-H]-

425.378894

216.8

[M+NH4]+

444.419993

233.7

[M+K]+

465.349328

209.3

[M+H-H2O]+

409.383430

209.4

[M+HCOO]-

471.384371

218.0

[M+CH3COO]-

485.400021

234.9

[M+Na-2H]-

447.360836

206.6

[M]+

426.38562142

208.5

[M]-

426.38671858

208.5

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

(3beta,4alpha,5alpha,24z)-4-methylstigmasta-8(14),24(28)-dien-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe