CID 131750971

Dtxsid801098785

Structural Information

Molecular Formula
C28H38O9
SMILES
CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C(C(C4C3)(C)CCC(=O)OC)C(C)(C)O)OC(=O)C)C)OC
InChI
InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3
InChIKey
ZOYRWINBLNBGCP-UHFFFAOYSA-N
Compound name
methyl 3-[7-acetyloxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzofuro[5,6-b]chromen-9-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.2516 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.25888 217.6
[M+Na]+ 541.24082 224.4
[M+NH4]+ 536.28542 223.6
[M+K]+ 557.21476 220.8
[M-H]- 517.24432 218.0
[M+Na-2H]- 539.22627 215.3
[M]+ 518.25105 218.7
[M]- 518.25215 218.7
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.