CID 163080875
[(2s,3s,4s,5r,6r)-6-[[(2r,3r,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate
Structural Information
- Molecular Formula
- C36H44O21
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2OC(=O)C)C)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O)O
- InChI
- InChI=1S/C36H44O21/c1-11-22(41)25(44)27(46)35(51-11)57-33-29(48)34(52-12(2)30(33)53-13(3)37)50-10-20-23(42)26(45)28(47)36(55-20)56-32-24(43)21-18(40)8-15(49-4)9-19(21)54-31(32)14-5-6-16(38)17(39)7-14/h5-9,11-12,20,22-23,25-30,33-36,38-42,44-48H,10H2,1-4H3/t11-,12-,20+,22-,23-,25+,26-,27+,28+,29+,30-,33-,34+,35-,36-/m0/s1
- InChIKey
- SNWSDJIWOIJZFI-OGPXJKINSA-N
- Compound name
- [(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 813.24478 | 272.8 |
[M+Na]+ | 835.22672 | 275.7 |
[M-H]- | 811.23022 | 270.6 |
[M+NH4]+ | 830.27132 | 274.5 |
[M+K]+ | 851.20066 | 271.0 |
[M+H-H2O]+ | 795.23476 | 269.4 |
[M+HCOO]- | 857.23570 | 275.7 |
[M+CH3COO]- | 871.25135 | 278.8 |
[M+Na-2H]- | 833.21217 | 299.2 |
[M]+ | 812.23695 | 283.5 |
[M]- | 812.23805 | 283.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.