CID 57457805

(+)-galanolactone

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(CCCC2(C1CCC3(C2C/C=C\4/CCOC4=O)CO3)C)C
InChI
InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-
InChIKey
MBPTXJNHCBXMBP-RZNTYIFUSA-N
Compound name
(3Z)-3-[2-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)ethylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

5
Patents

318.21948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 175.8
[M+Na]+ 341.20870 182.8
[M-H]- 317.21220 185.8
[M+NH4]+ 336.25330 191.6
[M+K]+ 357.18264 182.7
[M+H-H2O]+ 301.21674 171.0
[M+HCOO]- 363.21768 186.2
[M+CH3COO]- 377.23333 186.0
[M+Na-2H]- 339.19415 178.0
[M]+ 318.21893 175.4
[M]- 318.22003 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe