CID 497362

(+)-myristinin d

Structural Information

Molecular Formula
C36H38O7
SMILES
C1[C@H](C2=C(C=C(C=C2)O)O[C@@H]1C3=CC=C(C=C3)O)C4=C(C(=C(C=C4O)O)C(=O)CCCCCCCCC5=CC=CC=C5)O
InChI
InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
InChIKey
NWJOIWGNEIDTTG-NSJVFKKDSA-N
Compound name
9-phenyl-1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

582.2618 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.26908 245.5
[M+Na]+ 605.25102 246.9
[M-H]- 581.25452 251.8
[M+NH4]+ 600.29562 243.9
[M+K]+ 621.22496 241.8
[M+H-H2O]+ 565.25906 232.9
[M+HCOO]- 627.26000 252.6
[M+CH3COO]- 641.27565 252.5
[M+Na-2H]- 603.23647 240.1
[M]+ 582.26125 245.4
[M]- 582.26235 245.4
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.