| SpectraBase Compound ID | CKWZ1lFvQ3G |
|---|---|
| InChI | InChI=1S/C34H53N5O6/c1-10-20(4)27-31(40)35-17-15-23-19-24(13-14-25(23)44-9)45-26-16-18-39(30(26)33(42)36-27)34(43)28(21(5)11-2)37-32(41)29(38(7)8)22(6)12-3/h13-15,17,19-22,26-30H,10-12,16,18H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)/b17-15-/t20?,21?,22?,26-,27-,28?,29?,30?/m1/s1 |
| InChIKey | SHBIMKKIABDMOU-CFBBWACJSA-N |
| Mol Weight | 627.8 g/mol |
| Molecular Formula | C34H53N5O6 |
| Exact Mass | 627.399584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnyeGqSARWF |
|---|---|
| Name | DAECHUINE-S3 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53N5O6 |
| InChI | InChI=1S/C34H53N5O6/c1-10-20(4)27-31(40)35-17-15-23-19-24(13-14-25(23)44-9)45-26-16-18-39(30(26)33(42)36-27)34(43)28(21(5)11-2)37-32(41)29(38(7)8)22(6)12-3/h13-15,17,19-22,26-30H,10-12,16,18H2,1-9H3,(H,35,40)(H,36,42)(H,37,41)/b17-15-/t20?,21?,22?,26-,27-,28?,29?,30?/m1/s1 |
| InChIKey | SHBIMKKIABDMOU-CFBBWACJSA-N |
| Literature Reference Author | S.S.LEE,W.C.SU,K.C.S.C.LIU |
| Literature Reference Citation | PHYTOCHEM.,58,1271(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00234-5 |
| Molecular Weight | 627.825 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3174 |