CID 14427376

6-hydroxysumatrol

Structural Information

Molecular Formula
C23H22O8
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4C(C3=O)C5=CC(=C(C=C5OC4O)OC)OC)O
InChI
InChI=1S/C23H22O8/c1-9(2)13-6-11-14(29-13)7-12(24)19-20(25)18-10-5-16(27-3)17(28-4)8-15(10)30-23(26)22(18)31-21(11)19/h5,7-8,13,18,22-24,26H,1,6H2,2-4H3
InChIKey
RMAYNNFCPNGTQW-UHFFFAOYSA-N
Compound name
10,21-dihydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

426.13147 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13875 197.6
[M+Na]+ 449.12069 205.9
[M-H]- 425.12419 204.4
[M+NH4]+ 444.16529 208.3
[M+K]+ 465.09463 205.7
[M+H-H2O]+ 409.12873 191.4
[M+HCOO]- 471.12967 205.3
[M+CH3COO]- 485.14532 206.7
[M+Na-2H]- 447.10614 198.2
[M]+ 426.13092 203.6
[M]- 426.13202 203.6
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.