| SpectraBase Compound ID | AAEvGFgYrCW |
|---|---|
| InChI | InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26-,27+/m0/s1 |
| InChIKey | LQGNCUXDDPRDJH-GCBCPNPXSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C27H44O7 |
| Exact Mass | 480.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPXV8xKu9Mr |
|---|---|
| Name | AJUGASTERONE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O7 |
| InChI | InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26-,27+/m0/s1 |
| InChIKey | LQGNCUXDDPRDJH-GCBCPNPXSA-N |
| Literature Reference Author | J.PIS,M.BUDESINNSKY,K.VORAC,V.LAUDOVA,J.HARMATHA |
| Literature Reference Citation | PHYTOCHEM.,37,707(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90343-1 |
| Molecular Weight | 480.642 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU23403 |