CID 137333936
D-maltoheptaonate
Structural Information
- Molecular Formula
- C42H72O37
- 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)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)CO)CO)CO)CO)CO)O)O)O)O
- InChI
- InChI=1S/C42H72O37/c43-1-8(50)30(17(53)23(59)36(66)67)74-38-25(61)18(54)32(10(3-45)69-38)76-40-27(63)20(56)34(12(5-47)71-40)78-42-29(65)22(58)35(14(7-49)73-42)79-41-28(64)21(57)33(13(6-48)72-41)77-39-26(62)19(55)31(11(4-46)70-39)75-37-24(60)16(52)15(51)9(2-44)68-37/h8-35,37-65H,1-7H2,(H,66,67)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,37-,38-,39-,40-,41-,42-/m1/s1
- InChIKey
- UKSFGJRYBMAOIA-SLVMBWJPSA-N
- Compound name
- (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1169.3825 | 309.7 |
[M+Na]+ | 1191.3644 | 310.5 |
[M+NH4]+ | 1186.4090 | 311.8 |
[M+K]+ | 1207.3384 | 313.7 |
[M-H]- | 1167.3679 | 306.8 |
[M+Na-2H]- | 1189.3499 | 337.4 |
[M]+ | 1168.3747 | 310.8 |
[M]- | 1168.3757 | 310.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.