CID 9981192

(8s)-8-(3,5-dimethoxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-7,8-dihydro-2h,6h-pyrano[3,2-g]chromen-6-one

Structural Information

Molecular Formula
C27H30O6
SMILES
CC(=CCC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=CC(=CC(=C4)OC)OC)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C27H30O6/c1-15(2)7-8-20-25-19(9-10-27(3,4)33-25)24(29)23-21(28)14-22(32-26(20)23)16-11-17(30-5)13-18(12-16)31-6/h7,9-13,22,29H,8,14H2,1-6H3/t22-/m0/s1
InChIKey
SPBOOUIIHXFKES-QFIPXVFZSA-N
Compound name
(8S)-8-(3,5-dimethoxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.20422 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21150 211.2
[M+Na]+ 473.19344 219.2
[M-H]- 449.19694 219.6
[M+NH4]+ 468.23804 221.3
[M+K]+ 489.16738 217.6
[M+H-H2O]+ 433.20148 201.9
[M+HCOO]- 495.20242 222.7
[M+CH3COO]- 509.21807 236.8
[M+Na-2H]- 471.17889 211.2
[M]+ 450.20367 217.2
[M]- 450.20477 217.2
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.