CID 129904511

[(9s,10s)-9-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-yl] (z)-2-methylbut-2-enoate

Structural Information

Molecular Formula
C27H32O8
SMILES
C/C=C(/C)\C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@]([C@H](CC3=CC4=C(C(=C32)OC)OCO4)C)(C)O
InChI
InChI=1S/C27H32O8/c1-8-14(2)26(28)35-25-21-17(11-18(30-5)22(25)31-6)12-27(4,29)15(3)9-16-10-19-23(34-13-33-19)24(32-7)20(16)21/h8,10-11,15,29H,9,12-13H2,1-7H3/b14-8-/t15-,27-/m0/s1
InChIKey
RMAHUCGKJLZWHZ-VFYIEJPZSA-N
Compound name
[(9S,10S)-9-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.20972 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21700 211.7
[M+Na]+ 507.19894 216.4
[M-H]- 483.20244 214.3
[M+NH4]+ 502.24354 216.6
[M+K]+ 523.17288 216.6
[M+H-H2O]+ 467.20698 207.0
[M+HCOO]- 529.20792 215.5
[M+CH3COO]- 543.22357 247.6
[M+Na-2H]- 505.18439 206.0
[M]+ 484.20917 215.2
[M]- 484.21027 215.2
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.