CID 15755767
[(2r,3s,4s,5r,6s)-6-[2,3-dihydroxy-4-[(e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
Structural Information
- Molecular Formula
- C31H30O13
- SMILES
- COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)O)O)O
- InChI
- InChI=1S/C31H30O13/c1-41-22-11-5-17(14-21(22)34)4-10-20(33)19-9-12-23(27(37)26(19)36)43-31-30(40)29(39)28(38)24(44-31)15-42-25(35)13-6-16-2-7-18(32)8-3-16/h2-14,24,28-32,34,36-40H,15H2,1H3/b10-4+,13-6+/t24-,28-,29+,30-,31-/m1/s1
- InChIKey
- JSFGLFKAAYSKDD-FCXJTQLZSA-N
- Compound name
- [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 611.17592 | 238.8 |
[M+Na]+ | 633.15786 | 239.5 |
[M-H]- | 609.16136 | 242.9 |
[M+NH4]+ | 628.20246 | 233.7 |
[M+K]+ | 649.13180 | 239.8 |
[M+H-H2O]+ | 593.16590 | 227.1 |
[M+HCOO]- | 655.16684 | 244.1 |
[M+CH3COO]- | 669.18249 | 253.7 |
[M+Na-2H]- | 631.14331 | 257.3 |
[M]+ | 610.16809 | 240.6 |
[M]- | 610.16919 | 240.6 |
Literature stripe
Patent stripe
No patent data available for this compound.