CID 72646

Zaluzanin c

Structural Information

Molecular Formula
C15H18O3
SMILES
C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C
InChI
InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1
InChIKey
XFVLNEYIZGZDHP-PEDHHIEDSA-N
Compound name
(3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

30
Patents

246.1256 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.2
[M+Na]+ 269.11482 161.9
[M-H]- 245.11832 161.1
[M+NH4]+ 264.15942 175.4
[M+K]+ 285.08876 160.0
[M+H-H2O]+ 229.12286 153.0
[M+HCOO]- 291.12380 169.9
[M+CH3COO]- 305.13945 195.4
[M+Na-2H]- 267.10027 153.1
[M]+ 246.12505 148.7
[M]- 246.12615 148.7
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

patents stripe