PubChemLite - (3beta,4alpha,5alpha,24(28)z)-4,14-dimethylstigmasta-8,24(28)-dien-3-ol (C31H52O)

Structural Information

Molecular Formula

SMILES

C/C=C(/CCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4C)O)C)C)C)\C(C)C

InChI

InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,20-22,24-25,28,32H,10-19H2,1-8H3/b23-9-

InChIKey

WJNCLXFJDFOIKU-AQHIEDMUSA-N

Compound name

4,10,13,14-tetramethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-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]+	441.40910	217.8
[M+Na]+	463.39104	224.3
[M+NH4]+	458.43564	230.2
[M+K]+	479.36498	212.7
[M-H]-	439.39454	219.7
[M+Na-2H]-	461.37649	218.2
[M]+	440.40127	219.6
[M]-	440.40237	219.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.40910

217.8

[M+Na]+

463.39104

224.3

[M+NH4]+

458.43564

230.2

[M+K]+

479.36498

212.7

[M-H]-

439.39454

219.7

[M+Na-2H]-

461.37649

218.2

[M]+

440.40127

219.6

[M]-

440.40237

219.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe