| SpectraBase Compound ID | K5IAAbggC9T |
|---|---|
| InChI | InChI=1S/C30H46O13/c1-15(6-10-30(39)27(2,3)19(32)7-9-29(30,5)38)12-20(33)41-17-13-28(4,37)21-16(17)8-11-40-25(21)43-26-24(36)23(35)22(34)18(14-31)42-26/h6,8,10-12,16-19,21-26,31-32,34-39H,7,9,13-14H2,1-5H3/b10-6+,15-12+/t16-,17+,18-,19-,21+,22-,23+,24-,25-,26+,28-,29+,30+/m0/s1 |
| InChIKey | XAYXKOKRFVFDAF-MLCHMNDFSA-N |
| Mol Weight | 614.7 g/mol |
| Molecular Formula | C30H46O13 |
| Exact Mass | 614.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQnqH4rPhLE |
|---|---|
| Name | 6-O-SEC-HYDROXY-AEGINETOYL-AJUGOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O13 |
| InChI | InChI=1S/C30H46O13/c1-15(6-10-30(39)27(2,3)19(32)7-9-29(30,5)38)12-20(33)41-17-13-28(4,37)21-16(17)8-11-40-25(21)43-26-24(36)23(35)22(34)18(14-31)42-26/h6,8,10-12,16-19,21-26,31-32,34-39H,7,9,13-14H2,1-5H3/b10-6+,15-12+/t16-,17+,18-,19-,21+,22-,23+,24-,25-,26+,28-,29+,30+/m0/s1 |
| InChIKey | XAYXKOKRFVFDAF-MLCHMNDFSA-N |
| Literature Reference Author | H.SASAKI,H.NISHIMURA,T.MOROTA,T.KATSUHARA,M.CHIN,C.ZHENGXION G,H.MITSUHASHI |
| Literature Reference Citation | PHYTOCHEM.,30,1639(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84224-G |
| Molecular Weight | 614.687 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS26116 |