CID 13946353

(6as,11as)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,8-triol

Structural Information

Molecular Formula
C21H22O6
SMILES
CC(=CCC1=C2C(=CC(=C1OC)O)[C@@]3(COC4=C([C@@H]3O2)C=CC(=C4)O)O)C
InChI
InChI=1S/C21H22O6/c1-11(2)4-6-14-18-15(9-16(23)19(14)25-3)21(24)10-26-17-8-12(22)5-7-13(17)20(21)27-18/h4-5,7-9,20,22-24H,6,10H2,1-3H3/t20-,21+/m0/s1
InChIKey
VNKBPGVSBWRHTG-LEWJYISDSA-N
Compound name
(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 186.3
[M+Na]+ 393.13085 195.1
[M-H]- 369.13435 190.5
[M+NH4]+ 388.17545 201.3
[M+K]+ 409.10479 192.4
[M+H-H2O]+ 353.13889 180.9
[M+HCOO]- 415.13983 197.4
[M+CH3COO]- 429.15548 213.9
[M+Na-2H]- 391.11630 189.2
[M]+ 370.14108 190.5
[M]- 370.14218 190.5
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.