| SpectraBase Compound ID | KciKRzddDAF |
|---|---|
| InChI | InChI=1S/C54H70N8O18S.Na/c1-8-37-47(67)58-39-24-25-43(78-7)62(52(39)72)41(27-33-12-10-9-11-13-33)53(73)61(6)40(26-34-16-21-36(64)22-17-34)49(69)59-44(29(2)3)54(74)80-31(5)45(51(71)56-37)60-48(68)38(23-18-32-14-19-35(63)20-15-32)57-46(66)30(4)55-50(70)42(65)28-79-81(75,76)77;/h8-17,19-22,29-31,38-45,63-65H,18,23-28H2,1-7H3,(H,55,70)(H,56,71)(H,57,66)(H,58,67)(H,59,69)(H,60,68)(H,75,76,77);/q;+1/p-1/b37-8-;/t30-,31+,38-,39-,40-,41-,42+,43+,44-,45-;/m0./s1 |
| InChIKey | ORIYPXBBMZLHAY-AODXAMECSA-M |
| Mol Weight | 1173.2 g/mol |
| Molecular Formula | C54H69N8NaO18S |
| Exact Mass | 1172.434823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGRrT9SVeP2 |
|---|---|
| Name | LYNGBYASTATIN_6 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H69N8NaO18S |
| InChI | InChI=1S/C54H70N8O18S.Na/c1-8-37-47(67)58-39-24-25-43(78-7)62(52(39)72)41(27-33-12-10-9-11-13-33)53(73)61(6)40(26-34-16-21-36(64)22-17-34)49(69)59-44(29(2)3)54(74)80-31(5)45(51(71)56-37)60-48(68)38(23-18-32-14-19-35(63)20-15-32)57-46(66)30(4)55-50(70)42(65)28-79-81(75,76)77;/h8-17,19-22,29-31,38-45,63-65H,18,23-28H2,1-7H3,(H,55,70)(H,56,71)(H,57,66)(H,58,67)(H,59,69)(H,60,68)(H,75,76,77);/q;+1/p-1/b37-8-;/t30-,31+,38-,39-,40-,41-,42+,43+,44-,45-;/m0./s1 |
| InChIKey | ORIYPXBBMZLHAY-AODXAMECSA-M |
| 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 | 1173.234 g/mol |
| Sample ID | 31668 |
| Solvent | DMSO-D6 |