CID 495787

Nsc668175

Structural Information

Molecular Formula
C24H36O7
SMILES
CC1C(OC2(C1(CC(C(C2)OC)OC)CC=C)OC)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H36O7/c1-9-10-23-13-19(27-5)20(28-6)14-24(23,30-8)31-21(15(23)2)16-11-17(25-3)22(29-7)18(12-16)26-4/h9,11-12,15,19-21H,1,10,13-14H2,2-8H3
InChIKey
LLTRJDUMLGIMMN-UHFFFAOYSA-N
Compound name
5,6,7a-trimethoxy-3-methyl-3a-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7-hexahydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2461 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.25338 200.1
[M+Na]+ 459.23532 207.3
[M-H]- 435.23882 208.0
[M+NH4]+ 454.27992 215.9
[M+K]+ 475.20926 207.0
[M+H-H2O]+ 419.24336 194.2
[M+HCOO]- 481.24430 216.2
[M+CH3COO]- 495.25995 232.4
[M+Na-2H]- 457.22077 200.0
[M]+ 436.24555 210.3
[M]- 436.24665 210.3
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.