CID 38347030

Ovatodiolide

Structural Information

Molecular Formula
C20H24O4
SMILES
C/C/1=C\CCC2=C[C@H](C/C(=C/[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)/C)OC2=O
InChI
InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1
InChIKey
KTYZKXFERQUCPX-SIKGVNBJSA-N
Compound name
(1S,3E,5R,9S,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-triene-7,17-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

14
Patents

328.16745 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 173.6
[M+Na]+ 351.15667 183.8
[M+NH4]+ 346.20127 180.4
[M+K]+ 367.13061 181.8
[M-H]- 327.16017 177.6
[M+Na-2H]- 349.14212 172.8
[M]+ 328.16690 175.7
[M]- 328.16800 175.7
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