CID 6475214

Methyl (2e,10e,12e,16z,18e)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxo-nonadeca-2,10,12,16,18-pentaenoate

Structural Information

Molecular Formula
C34H50O7
SMILES
CC/C(=C/C(C)C/C=C/C(=C/C(CO)C(=O)C(C)C(C(C)C/C(=C/C(=O)OC)/C)O)/C)/C=C/C1C(C=CC(=O)O1)C
InChI
InChI=1S/C34H50O7/c1-9-28(14-15-30-25(5)13-16-31(36)41-30)18-22(2)11-10-12-23(3)19-29(21-35)34(39)27(7)33(38)26(6)17-24(4)20-32(37)40-8/h10,12-16,18-20,22,25-27,29-30,33,35,38H,9,11,17,21H2,1-8H3/b12-10+,15-14+,23-19+,24-20+,28-18-
InChIKey
DVPPRROFFTVVAF-MEOUXYBBSA-N
Compound name
methyl (2E,10E,12E,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.35565 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.36293 225.6
[M+Na]+ 593.34487 238.8
[M-H]- 569.34837 231.6
[M+NH4]+ 588.38947 241.5
[M+K]+ 609.31881 238.3
[M+H-H2O]+ 553.35291 233.1
[M+HCOO]- 615.35385 225.4
[M+CH3COO]- 629.36950 256.9
[M+Na-2H]- 591.33032 218.9
[M]+ 570.35510 225.7
[M]- 570.35620 225.7
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.