CID 131752912

Sugetriol triacetate

Structural Information

Molecular Formula
C21H30O6
SMILES
CC1C(CC2C(C3=C(C(CC13C2(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3
InChIKey
LCYMMMXHRHJXJB-UHFFFAOYSA-N
Compound name
(3,6-diacetyloxy-4,10,11,11-tetramethyl-9-tricyclo[5.3.1.01,5]undec-4-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.20422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21150 187.1
[M+Na]+ 401.19344 193.1
[M+NH4]+ 396.23804 195.2
[M+K]+ 417.16738 190.1
[M-H]- 377.19694 185.0
[M+Na-2H]- 399.17889 186.2
[M]+ 378.20367 187.2
[M]- 378.20477 187.2
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.