| SpectraBase Compound ID | 3CTL6ybnh5e |
|---|---|
| InChI | InChI=1S/C30H38O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h8-9,15,17,19-24,34-36H,10-11H2,1-7H3/b13-9+/t15-,17+,19+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1 |
| InChIKey | SPFPWBZAPXGZPE-AKWYSNGHSA-N |
| Mol Weight | 606.6 g/mol |
| Molecular Formula | C30H38O13 |
| Exact Mass | 606.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJ6JGHmlWmG |
|---|---|
| Name | BRUCEANOL-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O13 |
| InChI | InChI=1S/C30H38O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h8-9,15,17,19-24,34-36H,10-11H2,1-7H3/b13-9+/t15-,17+,19+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1 |
| InChIKey | SPFPWBZAPXGZPE-AKWYSNGHSA-N |
| Literature Reference Author | N.FUKAMIYA,M.OKANO,K.TAGAHARA,T.ARATANI,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,51,349(1988) |
| Literature Reference DOI | 10.1021/np50056a031 |
| Molecular Weight | 606.624 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17319 |