| SpectraBase Compound ID | 6UTJRdaBK02 |
|---|---|
| InChI | InChI=1S/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38?,39?,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | PKDAPACDVZFLFV-MVLTXIBXSA-N |
| Mol Weight | 988.2 g/mol |
| Molecular Formula | C48H81N3O18 |
| Exact Mass | 987.551513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JCuS6CXKND |
|---|---|
| Name | SAGITTAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H81N3O18 |
| InChI | InChI=1S/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38?,39?,42-,43?,44?,45?,46?/m0/s1 |
| InChIKey | PKDAPACDVZFLFV-MVLTXIBXSA-N |
| Literature Reference Author | S.C.LIEVENS,T.F.MOLINSKI |
| Literature Reference Citation | ORG.LETTERS,7,2281(2005) |
| Literature Reference DOI | 10.1021/ol050717x |
| Molecular Weight | 988.180 g/mol |
| Sample ID | 41598 |
| Solvent | CD3OD |