CID 5318649
3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Structural Information
- Molecular Formula
- C34H42O20
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)C)O)O)O
- InChI
- InChI=1S/C34H42O20/c1-10-20(38)23(41)26(44)33(49-10)53-29-11(2)50-32(28(46)25(29)43)48-9-18-21(39)24(42)27(45)34(52-18)54-31-22(40)19-15(37)7-13(35)8-17(19)51-30(31)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-21,23-29,32-39,41-46H,9H2,1-3H3/t10-,11-,18+,20-,21+,23+,24-,25-,26+,27+,28+,29-,32+,33-,34-/m0/s1
- InChIKey
- RAPBCTKCEDCANU-QNUDDIGYSA-N
- Compound name
- 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 771.23418 | 263.7 |
[M+Na]+ | 793.21612 | 267.2 |
[M-H]- | 769.21962 | 260.2 |
[M+NH4]+ | 788.26072 | 265.4 |
[M+K]+ | 809.19006 | 263.5 |
[M+H-H2O]+ | 753.22416 | 260.7 |
[M+HCOO]- | 815.22510 | 266.7 |
[M+CH3COO]- | 829.24075 | 270.0 |
[M+Na-2H]- | 791.20157 | 289.8 |
[M]+ | 770.22635 | 273.2 |
[M]- | 770.22745 | 273.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.