CID 14285716

(-)-sacculatal

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(=CCC[C@@]1(CCC[C@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)C)C
InChI
InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey
CJRSLLMDIKKFIM-VNTMZGSJSA-N
Compound name
(1R,4aS,5S,8aS)-5,8a-dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 173.2
[M+Na]+ 325.21380 178.6
[M-H]- 301.21730 176.4
[M+NH4]+ 320.25840 193.6
[M+K]+ 341.18774 174.4
[M+H-H2O]+ 285.22184 167.8
[M+HCOO]- 347.22278 188.0
[M+CH3COO]- 361.23843 207.7
[M+Na-2H]- 323.19925 174.1
[M]+ 302.22403 171.9
[M]- 302.22513 171.9
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.