CID 11527214

79199-56-7

Structural Information

Molecular Formula
C30H26O13
SMILES
C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChI
InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
InChIKey
ZYDDITZPGFXQSD-QKFRQTJPSA-N
Compound name
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

594.1373 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.144576 230.5
[M+Na]+ 617.126518 237.8
[M-H]- 593.130024 227.5
[M+NH4]+ 612.171123 233.5
[M+K]+ 633.100458 232.5
[M+H-H2O]+ 577.134560 221.0
[M+HCOO]- 639.135501 235.5
[M+CH3COO]- 653.151151 239.6
[M+Na-2H]- 615.111966 253.4
[M]+ 594.13675142 247.6
[M]- 594.13784858 247.6
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.