| SpectraBase Compound ID | IJBf8uRK928 |
|---|---|
| InChI | InChI=1S/C43H46N4O7/c1-50-28-9-5-7-26-31(28)47-22-40-19-23-18-39-21-30(48)53-29(39)10-14-45-15-12-42(26,35(39)45)43(23,47)54-37(40)46-16-11-41-25-6-3-4-8-27(25)44-32(41)24(33(49)51-2)20-38(34(41)46)13-17-52-36(38)40/h3-9,23,29,34-37,44H,10-22H2,1-2H3/t23-,29-,34-,35-,36+,37+,38-,39-,40+,41-,42+,43+/m0/s1 |
| InChIKey | VSMRTTPNAHJORK-YXDATENYSA-N |
| Mol Weight | 730.9 g/mol |
| Molecular Formula | C43H46N4O7 |
| Exact Mass | 730.33665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcUcjgdYKXv |
|---|---|
| Name | SUBSESSILINE-LACTONE |
| CAS Registry Number | 59796-72-4 |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H46N4O7 |
| InChI | InChI=1S/C43H46N4O7/c1-50-28-9-5-7-26-31(28)47-22-40-19-23-18-39-21-30(48)53-29(39)10-14-45-15-12-42(26,35(39)45)43(23,47)54-37(40)46-16-11-41-25-6-3-4-8-27(25)44-32(41)24(33(49)51-2)20-38(34(41)46)13-17-52-36(38)40/h3-9,23,29,34-37,44H,10-22H2,1-2H3/t23-,29-,34-,35-,36+,37+,38-,39-,40+,41-,42+,43+/m0/s1 |
| InChIKey | VSMRTTPNAHJORK-YXDATENYSA-N |
| Literature Reference Author | Y.ROLLAND,N.KUNESCH,J.POISSON,E.W.HAGAMAN,F.M.SCHELL,E.WENKE RT |
| Literature Reference Citation | J.ORG.CHEM.,41,3270(1976) |
| Literature Reference DOI | 10.1021/jo00882a013 |
| Molecular Weight | 730.861 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2506 |