CID 435160

Nsc364548

Structural Information

Molecular Formula
C22H32O7
SMILES
CC1C(OC2(C1(CC(C(C2)O)OC)CC=C)O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H32O7/c1-7-8-21-12-18(27-5)15(23)11-22(21,24)29-19(13(21)2)14-9-16(25-3)20(28-6)17(10-14)26-4/h7,9-10,13,15,18-19,23-24H,1,8,11-12H2,2-6H3
InChIKey
FYQNQFMORXEBJI-UHFFFAOYSA-N
Compound name
5-methoxy-3-methyl-3a-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7-hexahydro-1-benzofuran-6,7a-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2148 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22208 193.1
[M+Na]+ 431.20402 200.3
[M-H]- 407.20752 198.7
[M+NH4]+ 426.24862 208.7
[M+K]+ 447.17796 198.8
[M+H-H2O]+ 391.21206 188.1
[M+HCOO]- 453.21300 206.7
[M+CH3COO]- 467.22865 222.3
[M+Na-2H]- 429.18947 193.1
[M]+ 408.21425 199.1
[M]- 408.21535 199.1
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.