CID 86577540

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

Structural Information

Molecular Formula
C22H26O7
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@H]([C@H]1C)O)OC)O)OC)OC)OCO3
InChI
InChI=1S/C22H26O7/c1-10-6-12-7-15-20(29-9-28-15)22(27-5)16(12)17-13(18(23)11(10)2)8-14(25-3)19(24)21(17)26-4/h7-8,10-11,18,23-24H,6,9H2,1-5H3/t10-,11-,18-/m0/s1
InChIKey
YRPSKXHNKDZJLW-FHGNATFXSA-N
Compound name
(8S,9S,10S)-3,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-4,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.16785 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17513 193.5
[M+Na]+ 425.15707 199.1
[M-H]- 401.16057 196.2
[M+NH4]+ 420.20167 199.1
[M+K]+ 441.13101 199.2
[M+H-H2O]+ 385.16511 189.3
[M+HCOO]- 447.16605 198.4
[M+CH3COO]- 461.18170 240.5
[M+Na-2H]- 423.14252 189.6
[M]+ 402.16730 196.4
[M]- 402.16840 196.4
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.