CID 171119176

Abronione

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1=C(C=C2C(=C1O)C(=O)[C@@]3(C(O2)COC4=CC=CC=C43)O)OC
InChI
InChI=1S/C18H16O6/c1-9-12(22-2)7-13-15(16(9)19)17(20)18(21)10-5-3-4-6-11(10)23-8-14(18)24-13/h3-7,14,19,21H,8H2,1-2H3/t14?,18-/m1/s1
InChIKey
LHODSVNVYKDYSJ-XPKAQORNSA-N
Compound name
(12aR)-11,12a-dihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 171.5
[M+Na]+ 351.083918 181.5
[M-H]- 327.087424 177.2
[M+NH4]+ 346.128523 187.0
[M+K]+ 367.057858 180.2
[M+H-H2O]+ 311.091960 164.1
[M+HCOO]- 373.092901 184.0
[M+CH3COO]- 387.108551 182.7
[M+Na-2H]- 349.069366 179.1
[M]+ 328.09415142 174.9
[M]- 328.09524858 174.9
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.