| SpectraBase Compound ID | LFPar8h04MM |
|---|---|
| InChI | InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1 |
| InChIKey | DZIGKKCSWPSVIO-SWEGFNRNSA-N |
| Mol Weight | 947.1 g/mol |
| Molecular Formula | C48H66N8O12 |
| Exact Mass | 946.48002 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JuEymk0g3B |
|---|---|
| Name | LYNGBYASTATIN_7 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H66N8O12 |
| InChI | InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1 |
| InChIKey | DZIGKKCSWPSVIO-SWEGFNRNSA-N |
| Literature Reference Author | K.TAORI,S.MATTHEW,J.R.ROCCA,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,70,1593(2007) |
| Literature Reference DOI | 10.1021/np0702436 |
| Molecular Weight | 947.098 g/mol |
| Sample ID | 31669 |
| Solvent | DMSO-D6 |