CID 345510

Olean-12-en-3-yl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3

InChIKey

UMRPOGLIBDXFNK-UHFFFAOYSA-N

Compound name

(4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 0
Patents: 468.39673 Da
Monoisotopic Mass: 9.7
XlogP (predicted)

Profile

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]+	469.40401	214.1
[M+Na]+	491.38595	218.9
[M-H]-	467.38945	217.2
[M+NH4]+	486.43055	237.2
[M+K]+	507.35989	213.2
[M+H-H2O]+	451.39399	202.6
[M+HCOO]-	513.39493	213.6
[M+CH3COO]-	527.41058	219.3
[M+Na-2H]-	489.37140	212.8
[M]+	468.39618	208.1
[M]-	468.39728	208.1

Literature stripe

Patent stripe