| SpectraBase Compound ID | Iy87IF3sAKa |
|---|---|
| InChI | InChI=1S/C53H68N8O15/c1-7-36-46(68)57-38-23-24-42(66)61(51(38)73)40(26-32-11-9-8-10-12-32)52(74)60(6)39(25-33-15-20-35(64)21-16-33)48(70)58-43(28(2)3)53(75)76-30(5)44(50(72)55-36)59-47(69)37(22-17-31-13-18-34(63)19-14-31)56-45(67)29(4)54-49(71)41(65)27-62/h7-16,18-21,28-30,37-44,62-66H,17,22-27H2,1-6H3,(H,54,71)(H,55,72)(H,56,67)(H,57,68)(H,58,70)(H,59,69)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | KKTKZTTVMLKFOE-RNXFLSOQSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C53H68N8O15 |
| Exact Mass | 1056.480414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pDwBGKQd8h |
|---|---|
| Name | LYNGBYASTATIN_5 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H68N8O15 |
| InChI | InChI=1S/C53H68N8O15/c1-7-36-46(68)57-38-23-24-42(66)61(51(38)73)40(26-32-11-9-8-10-12-32)52(74)60(6)39(25-33-15-20-35(64)21-16-33)48(70)58-43(28(2)3)53(75)76-30(5)44(50(72)55-36)59-47(69)37(22-17-31-13-18-34(63)19-14-31)56-45(67)29(4)54-49(71)41(65)27-62/h7-16,18-21,28-30,37-44,62-66H,17,22-27H2,1-6H3,(H,54,71)(H,55,72)(H,56,67)(H,57,68)(H,58,70)(H,59,69)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | KKTKZTTVMLKFOE-RNXFLSOQSA-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 | 1057.168 g/mol |
| Sample ID | 31667 |
| Solvent | DMSO-D6 |