CID 86574469

(1r,2s,9s,10s,14r)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol

Structural Information

Molecular Formula
C24H36O7
SMILES
C[C@H]1CC2=C[C@H](C(=C([C@@H]2[C@H]3C(=CC(C(=C3OC)OC)OC)C[C@]1(C)O)OC)OC)OC
InChI
InChI=1S/C24H36O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,16-19,25H,9,12H2,1-8H3/t13-,16+,17?,18-,19+,24-/m0/s1
InChIKey
SZKOFHQULAARMR-RGOKOKNWSA-N
Compound name
(1R,2S,9S,10S,14R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-3,6,12,15-tetraen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.2461 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.25338 199.2
[M+Na]+ 459.23532 204.1
[M-H]- 435.23882 201.0
[M+NH4]+ 454.27992 205.3
[M+K]+ 475.20926 204.1
[M+H-H2O]+ 419.24336 194.4
[M+HCOO]- 481.24430 204.4
[M+CH3COO]- 495.25995 244.5
[M+Na-2H]- 457.22077 194.6
[M]+ 436.24555 202.4
[M]- 436.24665 202.4
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.