CID 171118791

15-hydroxydeltoidin a

Structural Information

Molecular Formula
C19H26O6
SMILES
C/C=C(/C)\C(=O)O[C@@H]1C/C(=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H]1CC(=O)O3)CO)/C
InChI
InChI=1S/C19H26O6/c1-4-12(3)18(22)23-14-8-11(2)6-5-7-19(10-20)17(25-19)16-13(14)9-15(21)24-16/h4,6,13-14,16-17,20H,5,7-10H2,1-3H3/b11-6+,12-4-/t13-,14-,16+,17+,19+/m1/s1
InChIKey
HIWQHRYAEHHJEB-ONCVQVOVSA-N
Compound name
[(1S,2S,4S,7E,10R,11R)-4-(hydroxymethyl)-8-methyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 175.0
[M+Na]+ 373.16216 182.5
[M-H]- 349.16566 178.1
[M+NH4]+ 368.20676 183.8
[M+K]+ 389.13610 182.6
[M+H-H2O]+ 333.17020 175.1
[M+HCOO]- 395.17114 185.9
[M+CH3COO]- 409.18679 209.4
[M+Na-2H]- 371.14761 175.2
[M]+ 350.17239 178.6
[M]- 350.17349 178.6
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.