| SpectraBase Compound ID | 3JL7OsUxrm2 |
|---|---|
| InChI | InChI=1S/C33H45N5O8/c1-19(2)26-32(44)37-18-8-11-24(37)30(42)36-16-6-4-9-23(36)31(43)38-17-7-5-10-25(38)33(45)46-20(3)27(29(41)34-26)35-28(40)21-12-14-22(39)15-13-21/h12-15,19-20,23-27,39H,4-11,16-18H2,1-3H3,(H,34,41)(H,35,40)/t20-,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | RQAOOOGBRZTWIS-VUXQNLRASA-N |
| Mol Weight | 639.8 g/mol |
| Molecular Formula | C33H45N5O8 |
| Exact Mass | 639.326813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ixog47sjSS4 |
|---|---|
| Name | PETROSIFUGIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45N5O8 |
| InChI | InChI=1S/C33H45N5O8/c1-19(2)26-32(44)37-18-8-11-24(37)30(42)36-16-6-4-9-23(36)31(43)38-17-7-5-10-25(38)33(45)46-20(3)27(29(41)34-26)35-28(40)21-12-14-22(39)15-13-21/h12-15,19-20,23-27,39H,4-11,16-18H2,1-3H3,(H,34,41)(H,35,40)/t20-,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | RQAOOOGBRZTWIS-VUXQNLRASA-N |
| Literature Reference Author | G.BRINGMANN,G.LANG,S.STEFFENS,K.SCHAUMANN |
| Literature Reference Citation | J.NAT.PROD.,67,311(2004) |
| Literature Reference DOI | 10.1021/np034015x |
| Molecular Weight | 639.749 g/mol |
| Solvent | DIOXANE-D8 |
| Source File Reference | UWKP4064 |