CID 129904491

(8s,9s,10s)-3,4,5,8,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene

Structural Information

Molecular Formula
C24H30O7
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@H]([C@H]1C)OC)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C24H30O7/c1-12-8-14-9-17-22(31-11-30-17)23(28-6)18(14)19-15(20(26-4)13(12)2)10-16(25-3)21(27-5)24(19)29-7/h9-10,12-13,20H,8,11H2,1-7H3/t12-,13-,20-/m0/s1
InChIKey
FCFAWFPHAOTXPJ-QAJFTPDKSA-N
Compound name
(8S,9S,10S)-3,4,5,8,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.19916 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.206436 199.6
[M+Na]+ 453.188378 205.2
[M-H]- 429.191884 203.2
[M+NH4]+ 448.232983 205.3
[M+K]+ 469.162318 205.6
[M+H-H2O]+ 413.196420 194.9
[M+HCOO]- 475.197361 205.4
[M+CH3COO]- 489.213011 244.8
[M+Na-2H]- 451.173826 195.3
[M]+ 430.19861142 204.1
[M]- 430.19970858 204.1
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.