CID 101443311

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

Structural Information

Molecular Formula
C30H44O10
SMILES
C[C@@H]1CCC/C=C/C=C/[C@@H](C[C@H](C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C30H44O10/c1-21-13-7-3-2-4-11-17-24(39-30-29(37)28(36)27(35)25(20-31)40-30)19-23(33)16-10-5-8-14-22(32)15-9-6-12-18-26(34)38-21/h2,4-6,8-12,14,17-18,21-25,27-33,35-37H,3,7,13,15-16,19-20H2,1H3/b4-2+,9-6+,10-5-,14-8+,17-11+,18-12-/t21-,22-,23+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey
MYXSDRWZZCAXCL-GNLPSSJPSA-N
Compound name
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8,14-dihydroxy-24-methyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.29346 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.30074 230.5
[M+Na]+ 587.28268 229.5
[M-H]- 563.28618 231.2
[M+NH4]+ 582.32728 224.0
[M+K]+ 603.25662 229.7
[M+H-H2O]+ 547.29072 226.9
[M+HCOO]- 609.29166 232.1
[M+CH3COO]- 623.30731 230.6
[M+Na-2H]- 585.26813 222.8
[M]+ 564.29291 220.1
[M]- 564.29401 220.1
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.