| SpectraBase Compound ID | KTNV2x8etkn |
|---|---|
| InChI | InChI=1S/C30H44O5/c1-16(14-31)17(2)25(33)30(34)19(4)24-22(35-30)13-27(6)23-8-7-20-18(3)21(32)9-10-28(20)15-29(23,28)12-11-26(24,27)5/h9-10,16,18-20,22-25,31,33-34H,2,7-8,11-15H2,1,3-6H3/t16-,18-,19-,20-,22-,23-,24-,25?,26+,27-,28+,29-,30?/m0/s1 |
| InChIKey | BKUOSWJDAFKHBH-XFYKTQPXSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C30H44O5 |
| Exact Mass | 484.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6psSxgLlO7N |
|---|---|
| Name | 22,23,26-TRIHYDROXY-29-NOR-24-METHYL-16,22-EPOXYCYCLOARTA-1,24-(24A)-DIENE-3,23-DIONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O5 |
| InChI | InChI=1S/C30H44O5/c1-16(14-31)17(2)25(33)30(34)19(4)24-22(35-30)13-27(6)23-8-7-20-18(3)21(32)9-10-28(20)15-29(23,28)12-11-26(24,27)5/h9-10,16,18-20,22-25,31,33-34H,2,7-8,11-15H2,1,3-6H3/t16-,18-,19-,20-,22-,23-,24-,25?,26+,27-,28+,29-,30?/m0/s1 |
| InChIKey | BKUOSWJDAFKHBH-XFYKTQPXSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 484.676 g/mol |
| Sample ID | 39715 |
| Solvent | CD3CN |