CID 21676281
3-[(2s,3r,4s,5r,6r)-3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Structural Information
- Molecular Formula
- C26H28O16
- SMILES
- C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)(CO)O
- InChI
- InChI=1S/C26H28O16/c27-6-15-17(33)19(35)22(42-25-23(36)26(37,7-28)8-38-25)24(40-15)41-21-18(34)16-13(32)4-10(29)5-14(16)39-20(21)9-1-2-11(30)12(31)3-9/h1-5,15,17,19,22-25,27-33,35-37H,6-8H2/t15-,17+,19+,22-,23+,24+,25+,26-/m1/s1
- InChIKey
- QJWRRPPVKXMSJD-QLAXZGQUSA-N
- Compound name
- 3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 597.14504 | 230.7 |
[M+Na]+ | 619.12698 | 235.0 |
[M-H]- | 595.13048 | 227.7 |
[M+NH4]+ | 614.17158 | 232.5 |
[M+K]+ | 635.10092 | 234.5 |
[M+H-H2O]+ | 579.13502 | 223.1 |
[M+HCOO]- | 641.13596 | 234.5 |
[M+CH3COO]- | 655.15161 | 238.6 |
[M+Na-2H]- | 617.11243 | 249.9 |
[M]+ | 596.13721 | 238.2 |
[M]- | 596.13831 | 238.2 |
Literature stripe
Patent stripe
No patent data available for this compound.