CID 345510

Beta-amyrin acetate

Structural Information

Molecular Formula
C32H52O2
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

compound 2d structure
1
Annotation Hits

30
References

0
Patents

468.39673 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.40401 218.9
[M+Na]+ 491.38595 226.9
[M+NH4]+ 486.43055 235.7
[M+K]+ 507.35989 208.2
[M-H]- 467.38945 222.4
[M+Na-2H]- 489.37140 224.0
[M]+ 468.39618 222.1
[M]- 468.39728 222.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.