| SpectraBase Compound ID | AzQRsjRL3fL |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16?,17?,18?,19-,20-,21-,23?,24?,25+,26-,27-/m1/s1 |
| InChIKey | BTSHHJQHTVNSLW-DVMQAMENSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1TTqMd8Kj5 |
|---|---|
| Name | NEOPORRIGENIN-B |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16?,17?,18?,19-,20-,21-,23?,24?,25+,26-,27-/m1/s1 |
| InChIKey | BTSHHJQHTVNSLW-DVMQAMENSA-N |
| Literature Reference Author | A.CAROTENUTO,E.FATTORUSSO,V.LANZOTTI,S.MAGNO,V.DEFEO,R.CARNU CCIO,F.D'ACQUISTO |
| Literature Reference Citation | J.NAT.PROD.,60,1003(1997) |
| Literature Reference DOI | 10.1021/np960657r |
| Molecular Weight | 446.627 g/mol |
| Solvent | CD3OD |
| Source File Reference | WANG591 |