| SpectraBase Compound ID | Exjo7qy002F |
|---|---|
| InChI | InChI=1S/C48H84O12/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-42(34-43(56-38(4)50)33-31-29-27-25-23-21-19-17-15-13-11-9-2)35-55-48-47(59-41(7)53)46(58-40(6)52)45(57-39(5)51)44(60-48)36-54-37(3)49/h34,43-48H,8-33,35-36H2,1-7H3/b42-34+/t43-,44+,45+,46-,47+,48+/m0/s1 |
| InChIKey | LFXZHFRRJBHOIP-ZKLALHDNSA-N |
| Mol Weight | 853.2 g/mol |
| Molecular Formula | C48H84O12 |
| Exact Mass | 852.596278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLP0XCC637A |
|---|---|
| Name | CLATHROSIDE_A_PERACETATE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H84O12 |
| InChI | InChI=1S/C48H84O12/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-42(34-43(56-38(4)50)33-31-29-27-25-23-21-19-17-15-13-11-9-2)35-55-48-47(59-41(7)53)46(58-40(6)52)45(57-39(5)51)44(60-48)36-54-37(3)49/h34,43-48H,8-33,35-36H2,1-7H3/b42-34+/t43-,44+,45+,46-,47+,48+/m0/s1 |
| InChIKey | LFXZHFRRJBHOIP-ZKLALHDNSA-N |
| Literature Reference Author | V.COSTANTINO,E.FATTORUSSO,C.IMPERATORE,A.MANGONI |
| Literature Reference Citation | J.NAT.PROD.,69,73(2006) |
| Literature Reference DOI | 10.1021/np050331v |
| Molecular Weight | 853.188 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16463 |