| SpectraBase Compound ID | 9dYMLg15dNZ |
|---|---|
| InChI | InChI=1S/C30H40O13/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/h9,12,15,17,19-24,34-36H,8,10-11H2,1-7H3/b13-9+/t12-,15+,17-,19-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1 |
| InChIKey | LNFLSPAGUXRAML-GLQLFLDVSA-N |
| Mol Weight | 608.6 g/mol |
| Molecular Formula | C30H40O13 |
| Exact Mass | 608.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyChHTfSQ6x |
|---|---|
| Name | BRUCEANOL-G |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O13 |
| InChI | InChI=1S/C30H40O13/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/h9,12,15,17,19-24,34-36H,8,10-11H2,1-7H3/b13-9+/t12-,15+,17-,19-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1 |
| InChIKey | LNFLSPAGUXRAML-GLQLFLDVSA-N |
| Literature Reference Author | K.IMAMURA,N.FUKAYIMA,M.NAKAMURA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,58,1915(1995) |
| Literature Reference DOI | 10.1021/np50126a019 |
| Molecular Weight | 608.640 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | WANG2478 |