| SpectraBase Compound ID | 7g0Ayf9bVq |
|---|---|
| InChI | InChI=1S/C47H78N2O14/c1-31(16-32(2)17-46(61)49-44(45(63-3)28-47(49)62)18-33-13-9-7-10-14-33)12-8-5-4-6-11-15-34(51)19-35(52)20-36(53)21-37(54)22-38(55)23-39(56)24-40(57)25-41(58)26-42(59)27-43(60)29-48-30-50/h7,9-10,13-14,17,28,30-31,34-44,51-60H,4-6,8,11-12,15-16,18-27,29H2,1-3H3,(H,48,50)/b32-17-/t31?,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+/m1/s1 |
| InChIKey | DZDVKDQQGJQHJF-ATAAOUAFSA-N |
| Mol Weight | 895.1 g/mol |
| Molecular Formula | C47H78N2O14 |
| Exact Mass | 894.545305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ewzq0UsXMDM |
|---|---|
| Name | MYCAPOLYOL-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78N2O14 |
| InChI | InChI=1S/C47H78N2O14/c1-31(16-32(2)17-46(61)49-44(45(63-3)28-47(49)62)18-33-13-9-7-10-14-33)12-8-5-4-6-11-15-34(51)19-35(52)20-36(53)21-37(54)22-38(55)23-39(56)24-40(57)25-41(58)26-42(59)27-43(60)29-48-30-50/h7,9-10,13-14,17,28,30-31,34-44,51-60H,4-6,8,11-12,15-16,18-27,29H2,1-3H3,(H,48,50)/b32-17-/t31?,34-,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+/m1/s1 |
| InChIKey | DZDVKDQQGJQHJF-ATAAOUAFSA-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 | 895.141 g/mol |
| Sample ID | 42888 |
| Solvent | DMSO-D6 |