CID 44260095

Lonchocarpol c

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)O[C@@H](CC2=O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-10-16-22(28)21-18(27)12-19(14-6-8-15(26)9-7-14)30-24(21)17-11-20(25(3,4)29)31-23(16)17/h5-9,19-20,26,28-29H,10-12H2,1-4H3/t19-,20?/m0/s1
InChIKey
UICPJXWESAHQFX-XJDOXCRVSA-N
Compound name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1886 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 203.4
[M+Na]+ 447.17782 209.6
[M-H]- 423.18132 209.3
[M+NH4]+ 442.22242 213.0
[M+K]+ 463.15176 206.8
[M+H-H2O]+ 407.18586 197.6
[M+HCOO]- 469.18680 212.1
[M+CH3COO]- 483.20245 226.1
[M+Na-2H]- 445.16327 202.2
[M]+ 424.18805 205.1
[M]- 424.18915 205.1
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.