| SpectraBase Compound ID | 9mjJdDWGnzY |
|---|---|
| InChI | InChI=1S/C30H42O6/c1-25(2)13-18-27(5)9-8-16-28(6,17(27)10-19(32)29(18,7)14-21(25)34)12-15(31)23-26(3,4)22-11-20(33)30(16,23)24(35)36-22/h10,15-16,18,22-24,31,35H,8-9,11-14H2,1-7H3/t15-,16?,18?,22-,23?,24+,27+,28+,29-,30+/m0/s1 |
| InChIKey | QOTOOBSIQMUJJV-UDPGJXAMSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C30H42O6 |
| Exact Mass | 498.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4K97KWnMONy |
|---|---|
| Name | HERRANTRIONE;6-ALPHA,25-DIHYDROXY-3-BETA,25-EPOXY-14-TARAXERENE-1,16,21-TRIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O6 |
| InChI | InChI=1S/C30H42O6/c1-25(2)13-18-27(5)9-8-16-28(6,17(27)10-19(32)29(18,7)14-21(25)34)12-15(31)23-26(3,4)22-11-20(33)30(16,23)24(35)36-22/h10,15-16,18,22-24,31,35H,8-9,11-14H2,1-7H3/t15-,16?,18?,22-,23?,24+,27+,28+,29-,30+/m0/s1 |
| InChIKey | QOTOOBSIQMUJJV-UDPGJXAMSA-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 | 498.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN766 |