CID 145944419

Monapinone e

Structural Information

Molecular Formula
C23H30O8
SMILES
COC1=CC(=C2C(=C1)C=C3C[C@H](OC(=O)C3=C2O)C[C@@H](C[C@@H](CCCCCO)O)O)O
InChI
InChI=1S/C23H30O8/c1-30-17-8-13-7-14-9-18(11-16(26)10-15(25)5-3-2-4-6-24)31-23(29)21(14)22(28)20(13)19(27)12-17/h7-8,12,15-16,18,24-28H,2-6,9-11H2,1H3/t15-,16-,18+/m1/s1
InChIKey
YHQGYEAIRQPZFF-NUJGCVRESA-N
Compound name
(3S)-9,10-dihydroxy-7-methoxy-3-[(2R,4R)-2,4,9-trihydroxynonyl]-3,4-dihydrobenzo[g]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.19406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20134 203.4
[M+Na]+ 457.18328 211.7
[M+NH4]+ 452.22788 206.6
[M+K]+ 473.15722 208.6
[M-H]- 433.18678 202.7
[M+Na-2H]- 455.16873 200.5
[M]+ 434.19351 203.9
[M]- 434.19461 203.9
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.