| SpectraBase Compound ID | AownlTHm3W3 |
|---|---|
| InChI | InChI=1S/C33H52O11/c1-10-13-23(36)43-28-25(18(4)5)26-27(33(9,39)30(28)40-19(6)34)20-17-31(7,38)21(42-22(35)12-3)15-16-32(8,29(26)41-20)44-24(37)14-11-2/h12,18,20-21,25-30,38-39H,3,10-11,13-17H2,1-2,4-9H3/t20-,21+,25-,26-,27-,28+,29-,30-,31+,32-,33+/m1/s1 |
| InChIKey | IAZCISKNKJSEDU-LCKUBEPHSA-N |
| Mol Weight | 624.8 g/mol |
| Molecular Formula | C33H52O11 |
| Exact Mass | 624.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Q94tzQxgVP |
|---|---|
| Name | SIMPLEXIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O11 |
| InChI | InChI=1S/C33H52O11/c1-10-13-23(36)43-28-25(18(4)5)26-27(33(9,39)30(28)40-19(6)34)20-17-31(7,38)21(42-22(35)12-3)15-16-32(8,29(26)41-20)44-24(37)14-11-2/h12,18,20-21,25-30,38-39H,3,10-11,13-17H2,1-2,4-9H3/t20-,21+,25-,26-,27-,28+,29-,30-,31+,32-,33+/m1/s1 |
| InChIKey | IAZCISKNKJSEDU-LCKUBEPHSA-N |
| Literature Reference Author | S.L.WU,J.H.SU,Z.H.WEN,C.H.HSU,B.W.CHEN,C.F.DAI,Y.H.KUO,J.H.S HEU |
| Literature Reference Citation | J.NAT.PROD.,72,994(2009) |
| Literature Reference DOI | 10.1021/np900064a |
| Molecular Weight | 624.769 g/mol |
| Sample ID | 32668 |
| Solvent | CDCl3 |