CID 12312851

Cyclosadol

Structural Information

Molecular Formula
C31H52O
SMILES
CC(C)/C(=C/CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)/C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h9,20,22-26,32H,10-19H2,1-8H3/b21-9+
InChIKey
BTLJUKNIXFTSMI-ZVBGSRNCSA-N
Compound name
15-[(E)-5,6-dimethylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

440.40182 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.40910 208.1
[M+Na]+ 463.39104 216.2
[M+NH4]+ 458.43564 223.8
[M+K]+ 479.36498 203.8
[M-H]- 439.39454 218.1
[M+Na-2H]- 461.37649 214.5
[M]+ 440.40127 214.1
[M]- 440.40237 214.1
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

patents stripe