| SpectraBase Compound ID | 7S5WhtL9auf |
|---|---|
| InChI | InChI=1S/C53H90N2O17/c1-34(16-35(2)17-52(70)55-50(51(72-3)31-53(55)71)18-36-13-9-7-10-14-36)12-8-5-4-6-11-15-37(57)19-38(58)20-39(59)21-40(60)22-41(61)23-42(62)24-43(63)25-44(64)26-45(65)27-46(66)28-47(67)29-48(68)30-49(69)32-54-33-56/h7,9-10,13-14,17,31,33-34,37-50,57-69H,4-6,8,11-12,15-16,18-30,32H2,1-3H3,(H,54,56)/b35-17-/t34?,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1 |
| InChIKey | OOFJTKJIMNXTDW-GXPHWLNESA-N |
| Mol Weight | 1027.3 g/mol |
| Molecular Formula | C53H90N2O17 |
| Exact Mass | 1026.623949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le2itttKm0F |
|---|---|
| Name | MYCAPOLYOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H90N2O17 |
| InChI | InChI=1S/C53H90N2O17/c1-34(16-35(2)17-52(70)55-50(51(72-3)31-53(55)71)18-36-13-9-7-10-14-36)12-8-5-4-6-11-15-37(57)19-38(58)20-39(59)21-40(60)22-41(61)23-42(62)24-43(63)25-44(64)26-45(65)27-46(66)28-47(67)29-48(68)30-49(69)32-54-33-56/h7,9-10,13-14,17,31,33-34,37-50,57-69H,4-6,8,11-12,15-16,18-30,32H2,1-3H3,(H,54,56)/b35-17-/t34?,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1 |
| InChIKey | OOFJTKJIMNXTDW-GXPHWLNESA-N |
| Literature Reference Author | P.PHUWAPRAISIRISAN,S.MATSUNAGA,N.FUSETANI |
| Literature Reference Citation | ORG.LETTERS,7,2233(2005) |
| Literature Reference DOI | 10.1021/ol050648m |
| Molecular Weight | 1027.301 g/mol |
| Sample ID | 42884 |
| Solvent | DMSO-D6 |