| SpectraBase Compound ID | Hoi0IgA1FGd |
|---|---|
| InChI | InChI=1S/C49H78O17/c1-10-11-12-13-14-15-16-17-18-19-20-43(62-35(6)53)44(63-36(7)54)24-22-41(60-33(4)51)29-42(61-34(5)52)30-48(65-38(9)56)47-26-25-46(66-47)45(64-37(8)55)23-21-40(59-32(3)50)28-39-27-31(2)58-49(39)57/h27,31,40-48H,10-26,28-30H2,1-9H3/t31?,40?,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | ZSRWTYQMPXTRGN-PFCOOYJGSA-N |
| Mol Weight | 939.1 g/mol |
| Molecular Formula | C49H78O17 |
| Exact Mass | 938.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfhzNPv0AHY |
|---|---|
| Name | CORIAHEPTOCIN-B-HEPTAACETATE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O17 |
| InChI | InChI=1S/C49H78O17/c1-10-11-12-13-14-15-16-17-18-19-20-43(62-35(6)53)44(63-36(7)54)24-22-41(60-33(4)51)29-42(61-34(5)52)30-48(65-38(9)56)47-26-25-46(66-47)45(64-37(8)55)23-21-40(59-32(3)50)28-39-27-31(2)58-49(39)57/h27,31,40-48H,10-26,28-30H2,1-9H3/t31?,40?,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | ZSRWTYQMPXTRGN-PFCOOYJGSA-N |
| Literature Reference Author | E.L.M.DASILVA,F.ROBLOT,O.LAPREVOTE,L.SERANI,A.CAVE |
| Literature Reference Citation | J.NAT.PROD.,60,162(1997) |
| Literature Reference DOI | 10.1021/np9606660 |
| Molecular Weight | 939.148 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS98 |