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

0
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 201.7
[M+Na]+ 431.21929 215.6
[M+NH4]+ 426.26389 211.1
[M+K]+ 447.19323 205.5
[M-H]- 407.22279 206.4
[M+Na-2H]- 429.20474 204.3
[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

No patent data available for this compound.