| SpectraBase Compound ID | 9xUcQnOsrsF |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-25(2)14-15-27(5)11-8-19-28(6)12-9-18-26(3,4)23-16-22(31)30(18,24(32)33-23)20(28)10-13-29(19,7)21(27)17-25/h8,18,20-21,23-24,32H,9-17H2,1-7H3/t18?,20?,21?,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | MMHOLLXRINBWBA-YIQUKMMVSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4387O6bsW7Z |
|---|---|
| Name | HERRANONE;3-BETA,25-EPOXY-25-HYDROXY-14-TARAXERENE-1-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-25(2)14-15-27(5)11-8-19-28(6)12-9-18-26(3,4)23-16-22(31)30(18,24(32)33-23)20(28)10-13-29(19,7)21(27)17-25/h8,18,20-21,23-24,32H,9-17H2,1-7H3/t18?,20?,21?,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | MMHOLLXRINBWBA-YIQUKMMVSA-N |
| Literature Reference Author | B.WIEDEMANN,H.LERCHE,H.LOTTER,A.NESZMELYI,H.WAGNER,A.A.MUELL ER |
| Literature Reference Citation | PHYTOCHEM.,52,333(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00085-0 |
| Molecular Weight | 454.693 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN765 |