CID 13368874

(r)-torosachrysone

Structural Information

Molecular Formula
C16H16O5
SMILES
C[C@]1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O
InChI
InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3/t16-/m1/s1
InChIKey
BFMIUBHJKFRWIV-MRXNPFEDSA-N
Compound name
(3R)-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.09976 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 162.3
[M+Na]+ 311.08898 172.4
[M-H]- 287.09248 164.7
[M+NH4]+ 306.13358 180.8
[M+K]+ 327.06292 168.3
[M+H-H2O]+ 271.09702 156.9
[M+HCOO]- 333.09796 177.6
[M+CH3COO]- 347.11361 197.9
[M+Na-2H]- 309.07443 167.3
[M]+ 288.09921 163.3
[M]- 288.10031 163.3
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

patents stripe