| SpectraBase Compound ID | GHRVdmwNjr3 |
|---|---|
| InChI | InChI=1S/C50H58O10/c1-29(2)9-7-11-31(5)13-18-36-33(15-23-43(53)39-20-16-34(51)26-45(39)55)25-42(50(60)49(36)59)41-28-47(57)48(58)38(19-14-32(6)12-8-10-30(3)4)37(41)22-24-44(54)40-21-17-35(52)27-46(40)56/h9-10,13-14,16-17,20-21,25-28,51-52,55-60H,7-8,11-12,15,18-19,22-24H2,1-6H3/b31-13+,32-14+ |
| InChIKey | BHDBRCJCCXGBOF-GCFMLEDASA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C50H58O10 |
| Exact Mass | 818.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jV387eKcFj |
|---|---|
| Name | CYCLOALTILISIN-6 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H58O10 |
| InChI | InChI=1S/C50H58O10/c1-29(2)9-7-11-31(5)13-18-36-33(15-23-43(53)39-20-16-34(51)26-45(39)55)25-42(50(60)49(36)59)41-28-47(57)48(58)38(19-14-32(6)12-8-10-30(3)4)37(41)22-24-44(54)40-21-17-35(52)27-46(40)56/h9-10,13-14,16-17,20-21,25-28,51-52,55-60H,7-8,11-12,15,18-19,22-24H2,1-6H3/b31-13+,32-14+ |
| InChIKey | BHDBRCJCCXGBOF-GCFMLEDASA-N |
| Literature Reference Author | A.D.PATIL,A.J.FRYER,L.KILLMER,P.OFFEN,P.B.TAYLOR,B.J.VOTTA,R .K.JOHNSON |
| Literature Reference Citation | J.NAT.PROD.,65,624(2002) |
| Literature Reference DOI | 10.1021/np0105634 |
| Molecular Weight | 819.005 g/mol |
| Solvent | ACETONE-D6 |