| SpectraBase Compound ID | 7iXERUVh1Rx |
|---|---|
| InChI | InChI=1S/C54H86N12O11S3/c1-13-27(9)39-52-57-33(23-80-52)45(71)63-41(29(11)67)49(75)60-37(25(5)6)46(72)59-38(26(7)8)48(74)64-42(30(12)68)54(77)66-20-16-18-35(66)51-56-32(22-79-51)44(70)62-40(28(10)14-2)53(76)65-19-15-17-34(65)50-55-31(21-78-50)43(69)58-36(24(3)4)47(73)61-39/h24-42,67-68H,13-23H2,1-12H3,(H,58,69)(H,59,72)(H,60,75)(H,61,73)(H,62,70)(H,63,71)(H,64,74)/t27-,28?,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1 |
| InChIKey | LCNUZNAEJUHWTH-GTSAYDOJSA-N |
| Mol Weight | 1175.5 g/mol |
| Molecular Formula | C54H86N12O11S3 |
| Exact Mass | 1174.570115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HZ5G1xgDwh |
|---|---|
| Name | CYCLOFORSKAMIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86N12O11S3 |
| InChI | InChI=1S/C54H86N12O11S3/c1-13-27(9)39-52-57-33(23-80-52)45(71)63-41(29(11)67)49(75)60-37(25(5)6)46(72)59-38(26(7)8)48(74)64-42(30(12)68)54(77)66-20-16-18-35(66)51-56-32(22-79-51)44(70)62-40(28(10)14-2)53(76)65-19-15-17-34(65)50-55-31(21-78-50)43(69)58-36(24(3)4)47(73)61-39/h24-42,67-68H,13-23H2,1-12H3,(H,58,69)(H,59,72)(H,60,75)(H,61,73)(H,62,70)(H,63,71)(H,64,74)/t27-,28?,29+,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1 |
| InChIKey | LCNUZNAEJUHWTH-GTSAYDOJSA-N |
| Literature Reference Author | K.C.TAN,T.WAKIMOTO,K.TAKADA,T.OHTSUKI,N.UCHIYAMA,Y.GODA,I.AB E |
| Literature Reference Citation | J.NAT.PROD.,76,1388(2013) |
| Literature Reference DOI | 10.1021/np400404r |
| Molecular Weight | 1175.531 g/mol |
| Sample ID | 42812 |
| Solvent | CDCl3 |