| SpectraBase Compound ID | 1u6gAKFqRxc |
|---|---|
| InChI | InChI=1S/C42H72O15/c1-20(17-43)9-8-12-42(7,53)21-10-14-40(5)28(21)22(46)15-26-39(4)13-11-27(47)38(2,3)35(39)23(16-41(26,40)6)54-37-34(32(51)30(49)25(19-45)56-37)57-36-33(52)31(50)29(48)24(18-44)55-36/h9,21-37,43-53H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,37-,39+,40+,41+,42?/m0/s1 |
| InChIKey | AWKIKXPYYLORMJ-CLFLSPGVSA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C42H72O15 |
| Exact Mass | 816.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NSdMxE9u8G |
|---|---|
| Name | PANAJAPONOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O15 |
| InChI | InChI=1S/C42H72O15/c1-20(17-43)9-8-12-42(7,53)21-10-14-40(5)28(21)22(46)15-26-39(4)13-11-27(47)38(2,3)35(39)23(16-41(26,40)6)54-37-34(32(51)30(49)25(19-45)56-37)57-36-33(52)31(50)29(48)24(18-44)55-36/h9,21-37,43-53H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,37-,39+,40+,41+,42?/m0/s1 |
| InChIKey | AWKIKXPYYLORMJ-CLFLSPGVSA-N |
| Literature Reference Author | H.H.CHAN,T.L.HWANG,M.V.B.REDDY,D.T.LI,K.QIAN,K.F.BASTOW,K.H. LEE,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,74,796(2011) |
| Literature Reference DOI | 10.1021/np100851s |
| Molecular Weight | 817.025 g/mol |
| Sample ID | 37312 |
| Solvent | C5D5N |