CID 171120481

(3z,5e,8s,9e,11z,14s,17e,19e,24r)-14-hydroxy-24-methyl-8-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaene-2,16-dione

Structural Information

Molecular Formula
C30H42O10
SMILES
C[C@@H]1CCC/C=C/C=C/C(=O)C[C@H](C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C30H42O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h2,4-6,8-12,14,16,18,21,23-25,27-31,33,35-37H,3,7,13,15,17,19-20H2,1H3/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t21-,23+,24-,25-,27-,28+,29-,30-/m1/s1
InChIKey
DNHDESCWXZDXMN-GXNIMRGBSA-N
Compound name
(3Z,5E,8S,9E,11Z,14S,17E,19E,24R)-14-hydroxy-24-methyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaene-2,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.2778 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.28508 229.2
[M+Na]+ 585.26702 228.9
[M-H]- 561.27052 231.2
[M+NH4]+ 580.31162 223.3
[M+K]+ 601.24096 229.1
[M+H-H2O]+ 545.27506 225.4
[M+HCOO]- 607.27600 232.5
[M+CH3COO]- 621.29165 231.8
[M+Na-2H]- 583.25247 221.9
[M]+ 562.27725 219.7
[M]- 562.27835 219.7
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.