CID 14427377

Villinol

Structural Information

Molecular Formula
C24H22O8
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4OC)OC)OC)O
InChI
InChI=1S/C24H22O8/c1-10(2)14-7-12-15(30-14)8-13(25)20-21(26)19-11-6-17(27-3)18(28-4)9-16(11)31-24(29-5)23(19)32-22(12)20/h6,8-9,14,24-25H,1,7H2,2-5H3
InChIKey
GMVHFTVCPPCMGW-UHFFFAOYSA-N
Compound name
10-hydroxy-16,17,21-trimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.13147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13875 201.7
[M+Na]+ 461.12069 211.9
[M-H]- 437.12419 210.5
[M+NH4]+ 456.16529 212.7
[M+K]+ 477.09463 212.2
[M+H-H2O]+ 421.12873 194.7
[M+HCOO]- 483.12967 213.3
[M+CH3COO]- 497.14532 211.9
[M+Na-2H]- 459.10614 203.6
[M]+ 438.13092 212.3
[M]- 438.13202 212.3
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.