CID 73057

Schisanhenol

Structural Information

Molecular Formula
C23H30O6
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC
InChI
InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
InChIKey
FYSHYFPJBONYCQ-QWHCGFSZSA-N
Compound name
(9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

158
Patents

402.20422 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21150 188.7
[M+Na]+ 425.19344 194.4
[M-H]- 401.19694 190.9
[M+NH4]+ 420.23804 194.8
[M+K]+ 441.16738 194.0
[M+H-H2O]+ 385.20148 183.9
[M+HCOO]- 447.20242 195.5
[M+CH3COO]- 461.21807 242.2
[M+Na-2H]- 423.17889 185.0
[M]+ 402.20367 192.3
[M]- 402.20477 192.3
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.