CID 53325466

[(9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula
C28H34O9
SMILES
C/C=C(\C)/C(=O)O[C@H]1C2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@H]([C@]1(C)O)C)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-19-23(36-13-35-19)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-18(31-5)22(32-6)24(20)33-7/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26-,28-/m0/s1
InChIKey
ZIBVHHLTJKYXEB-LSHKVNPSSA-N
Compound name
[(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

514.2203 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.22758 216.1
[M+Na]+ 537.20952 220.8
[M-H]- 513.21302 218.8
[M+NH4]+ 532.25412 220.5
[M+K]+ 553.18346 221.3
[M+H-H2O]+ 497.21756 211.5
[M+HCOO]- 559.21850 219.7
[M+CH3COO]- 573.23415 250.4
[M+Na-2H]- 535.19497 210.1
[M]+ 514.21975 220.5
[M]- 514.22085 220.5
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.