CID 163036921
[(2r,3s,4s,5r,6s)-6-[(2s,3r,4s,5s,6r)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Structural Information
- Molecular Formula
- C29H32O17
- SMILES
- CC(=O)OC[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]2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O
- InChI
- InChI=1S/C29H32O17/c1-10(31)41-9-17-19(35)22(38)23(39)28(44-17)45-26-20(36)16(8-30)43-29(24(26)40)46-27-21(37)18-14(34)6-13(33)7-15(18)42-25(27)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-24,26,28-30,32-36,38-40H,8-9H2,1H3/t16-,17-,19-,20+,22+,23-,24-,26+,28+,29+/m1/s1
- InChIKey
- ZYWDQPKNCPJCMM-UMYSOPDSSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 653.17122 | 244.1 |
[M+Na]+ | 675.15316 | 247.2 |
[M-H]- | 651.15666 | 240.7 |
[M+NH4]+ | 670.19776 | 245.5 |
[M+K]+ | 691.12710 | 242.8 |
[M+H-H2O]+ | 635.16120 | 236.6 |
[M+HCOO]- | 697.16214 | 247.2 |
[M+CH3COO]- | 711.17779 | 251.1 |
[M+Na-2H]- | 673.13861 | 267.4 |
[M]+ | 652.16339 | 254.2 |
[M]- | 652.16449 | 254.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.