CID 442828

(-)-variabilin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=C(O3)C=C(C=C4)OC)O
InChI
InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1
InChIKey
VVPGAJNPGZZNBM-SJORKVTESA-N
Compound name
(6aR,11aR)-3,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-6a-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

91
Patents

300.09976 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.107036 164.2
[M+Na]+ 323.088978 174.2
[M-H]- 299.092484 171.1
[M+NH4]+ 318.133583 183.2
[M+K]+ 339.062918 173.0
[M+H-H2O]+ 283.097020 158.2
[M+HCOO]- 345.097961 180.7
[M+CH3COO]- 359.113611 176.9
[M+Na-2H]- 321.074426 172.1
[M]+ 300.09921142 169.6
[M]- 300.10030858 169.6
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.