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

Structural Information

Molecular Formula

SMILES

C/C=C(/CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4C)O)C)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/h8,19-21,24-26,28,31H,9-18H2,1-7H3/b22-8-

InChIKey

MPTIJFTWLPEOOP-UYOCIXKTSA-N

Compound name

4,10,13-trimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-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	214.9
[M+Na]+	449.37539	221.6
[M+NH4]+	444.41999	226.1
[M+K]+	465.34933	211.7
[M-H]-	425.37889	217.0
[M+Na-2H]-	447.36084	214.0
[M]+	426.38562	216.6
[M]-	426.38672	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

214.9

[M+Na]+

449.37539

221.6

[M+NH4]+

444.41999

226.1

[M+K]+

465.34933

211.7

[M-H]-

425.37889

217.0

[M+Na-2H]-

447.36084

214.0

[M]+

426.38562

216.6

[M]-

426.38672

216.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe