CID 168265152

(5's,7r,8r,8as)-5'-(3-furyl)-4-(methoxymethoxymethyl)-7-methyl-spiro[2,6,7,8a-tetrahydro-1h-naphthalene-8,3'-tetrahydrofuran]-2'-one

Structural Information

Molecular Formula
C21H26O5
SMILES
C[C@@H]1CC=C2[C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC=C2COCOC
InChI
InChI=1S/C21H26O5/c1-14-6-7-17-15(11-25-13-23-2)4-3-5-18(17)21(14)10-19(26-20(21)22)16-8-9-24-12-16/h4,7-9,12,14,18-19H,3,5-6,10-11,13H2,1-2H3/t14-,18+,19+,21-/m1/s1
InChIKey
MAXCMQUJCIZSRK-XPKQXGJGSA-N
Compound name
(5'S,7R,8R,8aS)-5'-(furan-3-yl)-4-(methoxymethoxymethyl)-7-methylspiro[2,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.185276 184.2
[M+Na]+ 381.167218 190.6
[M-H]- 357.170724 194.8
[M+NH4]+ 376.211823 201.1
[M+K]+ 397.141158 189.2
[M+H-H2O]+ 341.175260 178.5
[M+HCOO]- 403.176201 200.9
[M+CH3COO]- 417.191851 212.7
[M+Na-2H]- 379.152666 184.2
[M]+ 358.17745142 186.7
[M]- 358.17854858 186.7
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.