CID 100936170
3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Structural Information
- Molecular Formula
- C34H42O22
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=C(C(=C(C(=C5C4=O)O)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)C)O)O)O
- InChI
- InChI=1S/C34H42O22/c1-8-15(36)19(40)25(46)33(51-8)55-28-9(2)52-32(27(48)24(28)45)50-7-13-16(37)20(41)26(47)34(53-13)56-31-18(39)14-17(38)21(42)22(43)23(44)30(14)54-29(31)10-4-5-11(35)12(6-10)49-3/h4-6,8-9,13,15-16,19-20,24-28,32-38,40-48H,7H2,1-3H3/t8-,9-,13+,15-,16+,19+,20-,24-,25+,26+,27+,28-,32+,33-,34-/m0/s1
- InChIKey
- OQUUNYOYXYBINW-QZEVNJRJSA-N
- Compound name
- 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 803.22408 | 266.3 |
[M+Na]+ | 825.20602 | 270.0 |
[M-H]- | 801.20952 | 263.5 |
[M+NH4]+ | 820.25062 | 268.2 |
[M+K]+ | 841.17996 | 266.5 |
[M+H-H2O]+ | 785.21406 | 264.9 |
[M+HCOO]- | 847.21500 | 269.4 |
[M+CH3COO]- | 861.23065 | 272.7 |
[M+Na-2H]- | 823.19147 | 293.2 |
[M]+ | 802.21625 | 275.0 |
[M]- | 802.21735 | 275.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.