CID 23247417

(1r,2s,8z,11z,13s,14r,16s)-2-[(1r,2s)-2-ethylcyclopropyl]-3,15-dioxatricyclo[11.4.0.014,16]heptadeca-8,11-dien-4-one

Structural Information

Molecular Formula
C20H28O3
SMILES
CC[C@H]1C[C@H]1[C@H]2[C@@H]3C[C@H]4[C@@H]([C@H]3/C=C\C/C=C\CCCC(=O)O2)O4
InChI
InChI=1S/C20H28O3/c1-2-13-11-15(13)19-16-12-17-20(22-17)14(16)9-7-5-3-4-6-8-10-18(21)23-19/h3-4,7,9,13-17,19-20H,2,5-6,8,10-12H2,1H3/b4-3-,9-7-/t13-,14-,15+,16+,17-,19-,20+/m0/s1
InChIKey
YJRNYEWLGNTSHT-SRHJZBNWSA-N
Compound name
(1R,2S,8Z,11Z,13S,14R,16S)-2-[(1R,2S)-2-ethylcyclopropyl]-3,15-dioxatricyclo[11.4.0.014,16]heptadeca-8,11-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 165.8
[M+Na]+ 339.19308 171.7
[M-H]- 315.19658 173.0
[M+NH4]+ 334.23768 168.8
[M+K]+ 355.16702 173.1
[M+H-H2O]+ 299.20112 164.7
[M+HCOO]- 361.20206 177.3
[M+CH3COO]- 375.21771 173.8
[M+Na-2H]- 337.17853 165.7
[M]+ 316.20331 167.3
[M]- 316.20441 167.3
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.