| SpectraBase Compound ID | EevDvAet2zv |
|---|---|
| InChI | InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3/t20-,21+,24-,25-,26-,27+,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | HCQIFRTWVUQXOW-YCZQKTHSSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C32H52O11 |
| Exact Mass | 612.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzMWrSA8L4L |
|---|---|
| Name | SIMPLEXIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O11 |
| InChI | InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3/t20-,21+,24-,25-,26-,27+,28-,29-,30+,31-,32+/m1/s1 |
| InChIKey | HCQIFRTWVUQXOW-YCZQKTHSSA-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 | 612.758 g/mol |
| Sample ID | 32666 |
| Solvent | CDCl3 |