CID 25203053

Dalcochinin

Structural Information

Molecular Formula
C23H24O7
SMILES
COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C([C@@H]3O)C=CC5=C4C[C@@H](O5)C(=C)CO)OC
InChI
InChI=1S/C23H24O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-22,24-25H,1,7,9-10H2,2-3H3/t16-,20-,21+,22+/m1/s1
InChIKey
MMPZIMLLXOEISC-XXMUNEJQSA-N
Compound name
(1S,6R,12R,13R)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.1522 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15948 196.2
[M+Na]+ 435.14142 208.2
[M+NH4]+ 430.18602 203.2
[M+K]+ 451.11536 205.2
[M-H]- 411.14492 201.7
[M+Na-2H]- 433.12687 193.5
[M]+ 412.15165 199.4
[M]- 412.15275 199.4
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.