CID 15227962

Heterophylol

Structural Information

Molecular Formula
C26H32O4
SMILES
CC(=CCC1=C(C=C(C2=C1CC3C(C2)C4=C(C=C(C=C4)O)OC3(C)C)OC)OC)C
InChI
InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3
InChIKey
VDNFSSVVXBUKRX-UHFFFAOYSA-N
Compound name
9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-enyl)-6a,7,12,12a-tetrahydronaphtho[2,3-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

408.23007 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23735 202.0
[M+Na]+ 431.21929 209.3
[M-H]- 407.22279 206.8
[M+NH4]+ 426.26389 216.3
[M+K]+ 447.19323 205.4
[M+H-H2O]+ 391.22733 193.4
[M+HCOO]- 453.22827 212.4
[M+CH3COO]- 467.24392 229.9
[M+Na-2H]- 429.20474 202.7
[M]+ 408.22952 205.4
[M]- 408.23062 205.4
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

patents stripe