| SpectraBase Compound ID | 7h1vt0z1u2h |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-16(2)8-9-24-29(7,37-26(3,4)36-24)23-10-11-30(35)18-13-19(31)17-12-20(32)21(33)14-27(17,5)25(18)22(34)15-28(23,30)6/h13,16-17,20-25,32-35H,8-12,14-15H2,1-7H3/t17-,20+,21-,22+,23?,24+,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | HNFIAGLFDMBJTE-UZOQIGCSSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVsms16EX4e |
|---|---|
| Name | AJUGASTERONE-C-20,22-MONOACETONIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-16(2)8-9-24-29(7,37-26(3,4)36-24)23-10-11-30(35)18-13-19(31)17-12-20(32)21(33)14-27(17,5)25(18)22(34)15-28(23,30)6/h13,16-17,20-25,32-35H,8-12,14-15H2,1-7H3/t17-,20+,21-,22+,23?,24+,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | HNFIAGLFDMBJTE-UZOQIGCSSA-N |
| Literature Reference Author | M.ZHANG,M.J.STOUT,I.KUBO |
| Literature Reference Citation | PHYTOCHEM.,31,247(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83046-N |
| Molecular Weight | 520.707 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5292 |