| SpectraBase Compound ID | Aukp9FZ0r61 |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-16-9-12-29(24(32)33)14-13-26(4)19(23(29)28(16,6)34)7-8-21-25(3)15-20(30)22(31)17(2)18(25)10-11-27(21,26)5/h7,15-16,21,23,30,34H,8-14H2,1-6H3,(H,32,33)/t16-,21-,23-,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | HHOKYTBXHJFJOV-PSMUSXLRSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIsqbIPwFYL |
|---|---|
| Name | NEGUNDONORIN-A;2,9-ALPHA-DIHYDROXY-3-OXO-24-NORURSA-1,4,12-TRIEN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-16-9-12-29(24(32)33)14-13-26(4)19(23(29)28(16,6)34)7-8-21-25(3)15-20(30)22(31)17(2)18(25)10-11-27(21,26)5/h7,15-16,21,23,30,34H,8-14H2,1-6H3,(H,32,33)/t16-,21-,23-,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | HHOKYTBXHJFJOV-PSMUSXLRSA-N |
| Literature Reference Author | C.J.ZHANG,J.PU,H.ZHANG,T.HAN,K.RAHMAN,L.P.QIN |
| Literature Reference Citation | FITOTERAPIA,83,49(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2011.09.012 |
| Molecular Weight | 468.634 g/mol |
| Sample ID | 71735 |
| Solvent | CDCl3 |