CID 131752050

Desacetyllaurenobiolide

Structural Information

Molecular Formula
C15H20O3
SMILES
C/C/1=C/C(C2C(C/C(=C\CC1)/C)OC(=O)C2=C)O
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7-,10-6-
InChIKey
FRDLPOYYWWRSPZ-ZVEIMFCASA-N
Compound name
(5Z,9Z)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

248.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 152.9
[M+Na]+ 271.130468 161.2
[M-H]- 247.133974 154.7
[M+NH4]+ 266.175073 169.4
[M+K]+ 287.104408 159.3
[M+H-H2O]+ 231.138510 151.9
[M+HCOO]- 293.139451 170.0
[M+CH3COO]- 307.155101 189.7
[M+Na-2H]- 269.115916 152.9
[M]+ 248.14070142 149.4
[M]- 248.14179858 149.4
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