| SpectraBase Compound ID | GBP4QHNvlRd |
|---|---|
| InChI | InChI=1S/C53H68N8O18S/c1-7-36-46(67)57-38-23-24-42(65)61(51(38)72)40(26-32-11-9-8-10-12-32)52(73)60(6)39(25-33-15-20-35(63)21-16-33)48(69)58-43(28(2)3)53(74)79-30(5)44(50(71)55-36)59-47(68)37(22-17-31-13-18-34(62)19-14-31)56-45(66)29(4)54-49(70)41(64)27-78-80(75,76)77/h7-16,18-21,28-30,37-44,62-65H,17,22-27H2,1-6H3,(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,75,76,77)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | QVBXBGIPSMEBEL-RNXFLSOQSA-N |
| Mol Weight | 1137.2 g/mol |
| Molecular Formula | C53H68N8O18S |
| Exact Mass | 1136.437229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANwfjwX0nL |
|---|---|
| Name | LYNGBYASTATIN_4 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H68N8O18S |
| InChI | InChI=1S/C53H68N8O18S/c1-7-36-46(67)57-38-23-24-42(65)61(51(38)72)40(26-32-11-9-8-10-12-32)52(73)60(6)39(25-33-15-20-35(63)21-16-33)48(69)58-43(28(2)3)53(74)79-30(5)44(50(71)55-36)59-47(68)37(22-17-31-13-18-34(62)19-14-31)56-45(66)29(4)54-49(70)41(64)27-78-80(75,76)77/h7-16,18-21,28-30,37-44,62-65H,17,22-27H2,1-6H3,(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,75,76,77)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | QVBXBGIPSMEBEL-RNXFLSOQSA-N |
| Literature Reference Author | S.MATTHEW,C.ROSS,J.R.ROCCA,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,70,124(2007) |
| Literature Reference DOI | 10.1021/np060471k |
| Molecular Weight | 1137.226 g/mol |
| Sample ID | 29546 |
| Solvent | DMSO-D6 |