CID 10076189

[3-acetoxy-5-[(8s)-5-acetoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-8-yl]phenyl] acetate

Structural Information

Molecular Formula
C31H32O9
SMILES
CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC(=O)C)C(=O)C[C@H](O2)C4=CC(=CC(=C4)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C31H32O9/c1-16(2)8-9-23-28-24(10-11-31(6,7)40-28)29(38-19(5)34)27-25(35)15-26(39-30(23)27)20-12-21(36-17(3)32)14-22(13-20)37-18(4)33/h8,10-14,26H,9,15H2,1-7H3/t26-/m0/s1
InChIKey
IOURYQSUWANSGI-SANMLTNESA-N
Compound name
[3-acetyloxy-5-[(8S)-5-acetyloxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-8-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

548.20465 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.21193 228.9
[M+Na]+ 571.19387 234.5
[M-H]- 547.19737 237.8
[M+NH4]+ 566.23847 234.7
[M+K]+ 587.16781 235.9
[M+H-H2O]+ 531.20191 219.4
[M+HCOO]- 593.20285 238.4
[M+CH3COO]- 607.21850 256.6
[M+Na-2H]- 569.17932 225.6
[M]+ 548.20410 238.2
[M]- 548.20520 238.2
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.