CID 6475980

Plakortolide

Structural Information

Molecular Formula
C25H34O4
SMILES
C[C@@H](C/C(=C/C(=C/CC1=CC=CC=C1)/C)/C)C[C@@]2(C[C@@]3([C@@H](CC(=O)O3)OO2)C)C
InChI
InChI=1S/C25H34O4/c1-18(11-12-21-9-7-6-8-10-21)13-19(2)14-20(3)16-24(4)17-25(5)22(28-29-24)15-23(26)27-25/h6-11,13,20,22H,12,14-17H2,1-5H3/b18-11+,19-13+/t20-,22+,24+,25+/m0/s1
InChIKey
UYFIHBHPIJKAMI-DPPVTXMQSA-N
Compound name
(3R,4aR,7aR)-3,4a-dimethyl-3-[(2S,4E,6E)-2,4,6-trimethyl-8-phenylocta-4,6-dienyl]-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

398.2457 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25298 201.4
[M+Na]+ 421.23492 204.7
[M-H]- 397.23842 208.9
[M+NH4]+ 416.27952 214.7
[M+K]+ 437.20886 203.9
[M+H-H2O]+ 381.24296 195.5
[M+HCOO]- 443.24390 212.2
[M+CH3COO]- 457.25955 223.2
[M+Na-2H]- 419.22037 200.0
[M]+ 398.24515 203.0
[M]- 398.24625 203.0
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.