CID 11125102

111594-58-2

Structural Information

Molecular Formula
C40H72O2Si2
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C40H72O2Si2/c1-28(2)29(3)19-20-30(4)35-23-24-36-32(18-17-25-40(35,36)12)21-22-33-26-34(41-43(13,14)38(6,7)8)27-37(31(33)5)42-44(15,16)39(9,10)11/h19-22,28-30,34-37H,5,17-18,23-27H2,1-4,6-16H3/b20-19+,32-21+,33-22+/t29-,30+,34+,35+,36-,37-,40+/m0/s1
InChIKey
UHCDRCBBCZLXBO-BTKCQVIHSA-N
Compound name
[(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.5071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.51438 253.3
[M+Na]+ 663.49632 249.5
[M-H]- 639.49982 255.6
[M+NH4]+ 658.54092 260.9
[M+K]+ 679.47026 244.5
[M+H-H2O]+ 623.50436 249.3
[M+HCOO]- 685.50530 250.4
[M+CH3COO]- 699.52095 271.4
[M+Na-2H]- 661.48177 243.5
[M]+ 640.50655 250.1
[M]- 640.50765 250.1
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.