CID 44146827

Tributyltin abietate

Structural Information

Molecular Formula
C32H56O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C3[C@@H]2CCC(=C3)C(C)C)C)C
InChI
InChI=1S/C20H30O2.3C4H9.Sn/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;3*1-3-4-2;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);3*1,3-4H2,2H3;/q;;;;+1/p-1/t16-,17+,19+,20+;;;;/m0..../s1
InChIKey
YHHOJVFDJNUJGV-TVPBCOHWSA-M
Compound name
tributylstannyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

592.33026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.33754 245.3
[M+Na]+ 615.31948 252.2
[M+NH4]+ 610.36408 254.2
[M+K]+ 631.29342 239.0
[M-H]- 591.32298 246.6
[M+Na-2H]- 613.30493 246.0
[M]+ 592.32971 246.9
[M]- 592.33081 246.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe