CID 6475982

Plakortolide g

Structural Information

Molecular Formula
C24H34O4
SMILES
C[C@@H](CCC/C(=C/CC1=CC=CC=C1)/C)C[C@@]2(C[C@@]3([C@@H](CC(=O)O3)OO2)C)C
InChI
InChI=1S/C24H34O4/c1-18(13-14-20-11-6-5-7-12-20)9-8-10-19(2)16-23(3)17-24(4)21(27-28-23)15-22(25)26-24/h5-7,11-13,19,21H,8-10,14-17H2,1-4H3/b18-13+/t19-,21+,23+,24+/m0/s1
InChIKey
IDTXMDHREDKNGT-QZTWUPOASA-N
Compound name
(3R,4aR,7aR)-3-[(E,2S)-2,6-dimethyl-8-phenyloct-6-enyl]-3,4a-dimethyl-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25298 197.9
[M+Na]+ 409.23492 201.5
[M-H]- 385.23842 205.4
[M+NH4]+ 404.27952 211.7
[M+K]+ 425.20886 200.9
[M+H-H2O]+ 369.24296 191.6
[M+HCOO]- 431.24390 209.8
[M+CH3COO]- 445.25955 220.6
[M+Na-2H]- 407.22037 198.0
[M]+ 386.24515 200.4
[M]- 386.24625 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.