PubChemLite - 3beta-24-methylenelanost-9(11)-en-3-ol (C31H52O)

Structural Information

Molecular Formula

SMILES

CC(C)C(=C)CCC(C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C

InChI

InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3

InChIKey

BEEARZYDKRRUMX-UHFFFAOYSA-N

Compound name

4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-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]+	441.40910	214.5
[M+Na]+	463.39104	217.2
[M-H]-	439.39454	216.0
[M+NH4]+	458.43564	235.9
[M+K]+	479.36498	210.3
[M+H-H2O]+	423.39908	208.8
[M+HCOO]-	485.40002	216.5
[M+CH3COO]-	499.41567	237.6
[M+Na-2H]-	461.37649	207.7
[M]+	440.40127	208.8
[M]-	440.40237	208.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.40910

214.5

[M+Na]+

463.39104

217.2

[M-H]-

439.39454

216.0

[M+NH4]+

458.43564

235.9

[M+K]+

479.36498

210.3

[M+H-H2O]+

423.39908

208.8

[M+HCOO]-

485.40002

216.5

[M+CH3COO]-

499.41567

237.6

[M+Na-2H]-

461.37649

207.7

[M]+

440.40127

208.8

[M]-

440.40237

208.8

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

3beta-24-methylenelanost-9(11)-en-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe