CID 171117865
Rhaunoside b
Structural Information
- Molecular Formula
- C30H26O13
- SMILES
- C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O
- InChI
- InChI=1S/C30H26O13/c31-16-8-7-15(10-17(16)32)19-11-18(33)24-20(41-19)12-21(25(35)27(24)37)42-30-29(39)28(38)26(36)22(43-30)13-40-23(34)9-6-14-4-2-1-3-5-14/h1-12,22,26,28-32,35-39H,13H2/b9-6+/t22-,26-,28+,29-,30-/m1/s1
- InChIKey
- RBVLZIXRPNDPFI-XVIBPUPISA-N
- Compound name
- [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 595.14458 | 236.6 |
[M+Na]+ | 617.12652 | 239.8 |
[M-H]- | 593.13002 | 243.1 |
[M+NH4]+ | 612.17112 | 231.9 |
[M+K]+ | 633.10046 | 241.3 |
[M+H-H2O]+ | 577.13456 | 224.4 |
[M+HCOO]- | 639.13550 | 241.3 |
[M+CH3COO]- | 653.15115 | 252.3 |
[M+Na-2H]- | 615.11197 | 256.5 |
[M]+ | 594.13675 | 251.2 |
[M]- | 594.13785 | 251.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.