CID 10476988

210837-88-0

Structural Information

Molecular Formula
C21H20O9
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)(C(CO)O)O)C(=C3C2=O)O)O
InChI
InChI=1S/C21H20O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,12,22-24,26-27,29H,5-7H2,1H3/t10-,12?,21-/m0/s1
InChIKey
CGVVIRBOJFDFBH-PTIJRGHASA-N
Compound name
(7S,9S)-9-(1,2-dihydroxyethyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

416.11072 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 192.2
[M+Na]+ 439.09994 202.2
[M+NH4]+ 434.14454 197.6
[M+K]+ 455.07388 197.7
[M-H]- 415.10344 190.7
[M+Na-2H]- 437.08539 191.4
[M]+ 416.11017 192.9
[M]- 416.11127 192.9
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

patents stripe