| SpectraBase Compound ID | BhTCET7dZ9n |
|---|---|
| InChI | InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1 |
| InChIKey | JMMSUMNUHPWPOM-ITIUQMENSA-N |
| Mol Weight | 511.7 g/mol |
| Molecular Formula | C27H45NO8 |
| Exact Mass | 511.314517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2W9h9sO9OPC |
|---|---|
| Name | TUMONOIC-ACID-C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NO8 |
| InChI | InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1 |
| InChIKey | JMMSUMNUHPWPOM-ITIUQMENSA-N |
| Literature Reference Author | G.G.HARRIGAN,H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,D.G.NAGLE,J.BIGG S,P.U.PARK,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,62,464(1999) |
| Literature Reference DOI | 10.1021/np980460u |
| Molecular Weight | 511.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP7591 |