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]+ 431.20644 199.6
[M+Na]+ 453.18838 205.2
[M-H]- 429.19188 203.2
[M+NH4]+ 448.23298 205.3
[M+K]+ 469.16232 205.6
[M+H-H2O]+ 413.19642 194.9
[M+HCOO]- 475.19736 205.4
[M+CH3COO]- 489.21301 244.8
[M+Na-2H]- 451.17383 195.3
[M]+ 430.19861 204.1
[M]- 430.19971 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.