| SpectraBase Compound ID | Jz1a20PjPyE |
|---|---|
| InChI | InChI=1S/C42H58O16/c1-6-14-28-17-12-9-13-18-29(44)30(45)20-22-32(46)51-23-31-37(56-33(47)21-19-27-15-10-8-11-16-27)38(57-40(50)24(3)7-2)35(49)41(55-31)58-39-34(48)36(53-26(5)43)25(4)52-42(39)54-28/h7-8,10-11,15-16,19,21,25,28-29,31,34-39,41-42,44,48-49H,6,9,12-14,17-18,20,22-23H2,1-5H3/b21-19+,24-7+/t25-,28-,29-,31-,34+,35-,36-,37-,38-,39+,41+,42-/m0/s1 |
| InChIKey | RTVXDHYKIASJTP-DGRLZNJASA-N |
| Mol Weight | 818.9 g/mol |
| Molecular Formula | C42H58O16 |
| Exact Mass | 818.372486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78wiONqKiTy |
|---|---|
| Name | IPOMOEASSIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58O16 |
| InChI | InChI=1S/C42H58O16/c1-6-14-28-17-12-9-13-18-29(44)30(45)20-22-32(46)51-23-31-37(56-33(47)21-19-27-15-10-8-11-16-27)38(57-40(50)24(3)7-2)35(49)41(55-31)58-39-34(48)36(53-26(5)43)25(4)52-42(39)54-28/h7-8,10-11,15-16,19,21,25,28-29,31,34-39,41-42,44,48-49H,6,9,12-14,17-18,20,22-23H2,1-5H3/b21-19+,24-7+/t25-,28-,29-,31-,34+,35-,36-,37-,38-,39+,41+,42-/m0/s1 |
| InChIKey | RTVXDHYKIASJTP-DGRLZNJASA-N |
| Literature Reference Author | S.CAO,R.C.GUZA,J.H.WISE,J.S.MILLER,R.EVANS,D.G.I.KINGSTON |
| Literature Reference Citation | J.NAT.PROD.,68,487(2005) |
| Literature Reference DOI | 10.1021/np049629w |
| Molecular Weight | 818.913 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ9436 |