| SpectraBase Compound ID | 43GeraPnEhb |
|---|---|
| InChI | InChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12+/t27-,28-,29-,31-,33-,34-,35-,38-/m0/s1 |
| InChIKey | RDPZVJUUVDDQSB-PLCVJWJKSA-N |
| Mol Weight | 796.1 g/mol |
| Molecular Formula | C43H65N5O7S |
| Exact Mass | 795.460471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGfrEqj1ccD |
|---|---|
| Name | TRANS-APRATOXIN_E;MAJOR_ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H65N5O7S |
| InChI | InChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12+/t27-,28-,29-,31-,33-,34-,35-,38-/m0/s1 |
| InChIKey | RDPZVJUUVDDQSB-PLCVJWJKSA-N |
| Literature Reference Author | S.MATTHEW,P.J.SCHUPP,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,71,1113(2008) |
| Literature Reference DOI | 10.1021/np700717s |
| Molecular Weight | 796.078 g/mol |
| Sample ID | 28630 |
| Solvent | C6D6 |