CID 16728078

(+)gomisin-m2

Structural Information

Molecular Formula
C22H26O6
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)O)OCO3
InChI
InChI=1S/C22H26O6/c1-11-6-13-9-16-20(28-10-27-16)19(23)17(13)18-14(7-12(11)2)8-15(24-3)21(25-4)22(18)26-5/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m0/s1
InChIKey
PDDXWOMYBJCSQB-NWDGAFQWSA-N
Compound name
(9R,10S)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

386.17294 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 191.4
[M+Na]+ 409.16216 197.1
[M-H]- 385.16566 194.6
[M+NH4]+ 404.20676 197.6
[M+K]+ 425.13610 197.0
[M+H-H2O]+ 369.17020 187.1
[M+HCOO]- 431.17114 197.1
[M+CH3COO]- 445.18679 194.5
[M+Na-2H]- 407.14761 188.0
[M]+ 386.17239 194.3
[M]- 386.17349 194.3
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.