| SpectraBase Compound ID | Aq5RFik9FUb |
|---|---|
| InChI | InChI=1S/C49H86O12/c1-9-11-12-13-14-15-16-17-20-23-26-29-32-43(34-44(57-39(5)51)33-30-27-24-21-18-19-22-25-28-31-37(3)10-2)35-56-49-48(60-42(8)54)47(59-41(7)53)46(58-40(6)52)45(61-49)36-55-38(4)50/h34,37,44-49H,9-33,35-36H2,1-8H3/b43-34+/t37?,44-,45+,46+,47-,48+,49+/m0/s1 |
| InChIKey | IYTOENKNHBHUKP-BMCZXJOQSA-N |
| Mol Weight | 867.2 g/mol |
| Molecular Formula | C49H86O12 |
| Exact Mass | 866.611928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cLuPFlvkgL |
|---|---|
| Name | CLATHROSIDE_B_PERACETATE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H86O12 |
| InChI | InChI=1S/C49H86O12/c1-9-11-12-13-14-15-16-17-20-23-26-29-32-43(34-44(57-39(5)51)33-30-27-24-21-18-19-22-25-28-31-37(3)10-2)35-56-49-48(60-42(8)54)47(59-41(7)53)46(58-40(6)52)45(61-49)36-55-38(4)50/h34,37,44-49H,9-33,35-36H2,1-8H3/b43-34+/t37?,44-,45+,46+,47-,48+,49+/m0/s1 |
| InChIKey | IYTOENKNHBHUKP-BMCZXJOQSA-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 | 867.215 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16464 |