CID 154812581
130756-12-6
Structural Information
- Molecular Formula
- C35H42O16
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C
- InChI
- InChI=1S/C35H42O16/c1-14(2)6-11-19-20(38)12-21(39)23-25(41)32(30(49-31(19)23)17-7-9-18(45-5)10-8-17)50-35-28(44)33(29(15(3)46-35)47-16(4)37)51-34-27(43)26(42)24(40)22(13-36)48-34/h6-10,12,15,22,24,26-29,33-36,38-40,42-44H,11,13H2,1-5H3/t15-,22+,24+,26-,27+,28+,29-,33-,34-,35-/m0/s1
- InChIKey
- UYALDZZEAZIEME-LGIFLTEQSA-N
- Compound name
- [(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 719.25458 | 259.6 |
[M+Na]+ | 741.23652 | 263.3 |
[M-H]- | 717.24002 | 257.8 |
[M+NH4]+ | 736.28112 | 261.5 |
[M+K]+ | 757.21046 | 256.1 |
[M+H-H2O]+ | 701.24456 | 251.5 |
[M+HCOO]- | 763.24550 | 263.0 |
[M+CH3COO]- | 777.26115 | 266.4 |
[M+Na-2H]- | 739.22197 | 284.6 |
[M]+ | 718.24675 | 273.6 |
[M]- | 718.24785 | 273.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.