CID 131752210

Oryzalide b

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1(C2CCC34CC(CCC3C2(C(OC1=O)O)C)C(=C)C4O)C
InChI
InChI=1S/C19H28O4/c1-10-11-5-6-13-18(4)12(7-8-19(13,9-11)14(10)20)17(2,3)15(21)23-16(18)22/h11-14,16,20,22H,1,5-9H2,2-4H3
InChIKey
QINXJSIKYUBGSE-UHFFFAOYSA-N
Compound name
8,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 174.1
[M+Na]+ 343.18798 181.4
[M-H]- 319.19148 176.5
[M+NH4]+ 338.23258 197.2
[M+K]+ 359.16192 176.9
[M+H-H2O]+ 303.19602 170.0
[M+HCOO]- 365.19696 180.3
[M+CH3COO]- 379.21261 183.5
[M+Na-2H]- 341.17343 176.0
[M]+ 320.19821 169.9
[M]- 320.19931 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.