CID 118704579

Dh-epi

Structural Information

Molecular Formula
C27H28O11
SMILES
C[C@H]1[C@@H]([C@H](C[C@](O1)(C)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)O)O
InChI
InChI=1S/C27H28O11/c1-11-21(31)15(29)8-26(2,37-11)38-16-9-27(36,17(30)10-28)7-14-18(16)25(35)20-19(24(14)34)22(32)12-5-3-4-6-13(12)23(20)33/h3-6,11,15-16,21,28-29,31,34-36H,7-10H2,1-2H3/t11-,15-,16-,21-,26-,27-/m0/s1
InChIKey
SFFAFHINPITXIC-ABZMEQTASA-N
Compound name
(7S,9S)-7-[(2R,4S,5R,6S)-4,5-dihydroxy-2,6-dimethyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.16315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.17043 217.9
[M+Na]+ 551.15237 226.7
[M+NH4]+ 546.19697 223.0
[M+K]+ 567.12631 221.2
[M-H]- 527.15587 218.6
[M+Na-2H]- 549.13782 217.0
[M]+ 528.16260 219.1
[M]- 528.16370 219.1
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

No patent data available for this compound.