CID 24741370

8(17),13-labdadien-15,16-olide

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CCC3=CC(=O)OC3)(C)C
InChI
InChI=1S/C20H30O2/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15-12-18(21)22-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17-,20+/m0/s1
InChIKey
RUXYUBRFOACSMM-ABSDTBQOSA-N
Compound name
3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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]+ 303.231856 173.4
[M+Na]+ 325.213798 179.1
[M-H]- 301.217304 180.5
[M+NH4]+ 320.258403 194.2
[M+K]+ 341.187738 175.4
[M+H-H2O]+ 285.221840 167.7
[M+HCOO]- 347.222781 187.4
[M+CH3COO]- 361.238431 206.0
[M+Na-2H]- 323.199246 173.3
[M]+ 302.22403142 169.7
[M]- 302.22512858 169.7
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.