![(-)-9-O-[(-)-KAUR-15-EN-7-OXY]-CUBEBIN](/api/spectrum/JTKe1YWqaUP/structure.png?h=300&w=458 "(-)-9-O-[(-)-KAUR-15-EN-7-OXY]-CUBEBIN")
| SpectraBase Compound ID | 38uD5IMA5cg |
|---|---|
| InChI | InChI=1S/C40H50O6/c1-38(2)12-4-13-39(3)35(38)11-14-40-19-27(7-10-36(39)40)29(20-40)22-42-37-30(16-26-6-9-32-34(18-26)46-24-44-32)28(21-41-37)15-25-5-8-31-33(17-25)45-23-43-31/h5-6,8-9,17-18,20,27-28,30,35-37H,4,7,10-16,19,21-24H2,1-3H3/t27-,28-,30+,35+,36-,37-,39+,40-/m0/s1 |
| InChIKey | LLVXKHLVRMNFCL-UBFVVDQQSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C40H50O6 |
| Exact Mass | 626.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTKe1YWqaUP |
|---|---|
| Name | (-)-9-O-[(-)-KAUR-15-EN-7-OXY]-CUBEBIN |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H50O6 |
| InChI | InChI=1S/C40H50O6/c1-38(2)12-4-13-39(3)35(38)11-14-40-19-27(7-10-36(39)40)29(20-40)22-42-37-30(16-26-6-9-32-34(18-26)46-24-44-32)28(21-41-37)15-25-5-8-31-33(17-25)45-23-43-31/h5-6,8-9,17-18,20,27-28,30,35-37H,4,7,10-16,19,21-24H2,1-3H3/t27-,28-,30+,35+,36-,37-,39+,40-/m0/s1 |
| InChIKey | LLVXKHLVRMNFCL-UBFVVDQQSA-N |
| Literature Reference Author | G.ZHANG,S.SHIMOKAWA,M.MOCHIZUKI,T.KUMAMOTO,W.NAKANISHI,T.WAT ANABE,T.ISHIKAWA,K.M |
| Literature Reference Citation | J.NAT.PROD.,71,1167(2008) |
| Literature Reference DOI | 10.1021/np800041t |
| Molecular Weight | 626.833 g/mol |
| Sample ID | 28617 |
| Solvent | CDCl3 |