CID 24096422

Dtxsid00904892

Structural Information

Molecular Formula
C20H30O6
SMILES
CC1CCC2(C(C1(C)CCC3=CC(OC3=O)O)CC(C(C24CO4)O)O)C
InChI
InChI=1S/C20H30O6/c1-11-4-7-19(3)14(9-13(21)16(23)20(19)10-25-20)18(11,2)6-5-12-8-15(22)26-17(12)24/h8,11,13-16,21-23H,4-7,9-10H2,1-3H3
InChIKey
IJOCZMKYIFYFQK-UHFFFAOYSA-N
Compound name
4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

366.20422 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.211496 180.4
[M+Na]+ 389.193438 189.0
[M-H]- 365.196944 187.8
[M+NH4]+ 384.238043 193.1
[M+K]+ 405.167378 188.2
[M+H-H2O]+ 349.201480 178.0
[M+HCOO]- 411.202421 187.8
[M+CH3COO]- 425.218071 212.7
[M+Na-2H]- 387.178886 182.5
[M]+ 366.20367142 183.4
[M]- 366.20476858 183.4
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

No patent data available for this compound.