| SpectraBase Compound ID | L98KE11CUiU |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-18(2)21-15-23(37-19(3)34)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)22(35)16-24-28(4,5)25(36)10-11-29(20,24)6/h9-11,18,21-24,26-27,33,35H,12-17H2,1-8H3/t21-,22-,23+,24-,26-,27+,29+,30-,31+,32+/m0/s1 |
| InChIKey | UQQISWXMPCJXQY-DMDMSIRMSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsYIE0y0mIY |
|---|---|
| Name | RUBIARBONONE_E_19-ACETATE;19-ALPHA-ACETOXY-7-BETA,28-DIHYDROXYARBOR-1,9-(11)-DIEN-3-ONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-18(2)21-15-23(37-19(3)34)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)22(35)16-24-28(4,5)25(36)10-11-29(20,24)6/h9-11,18,21-24,26-27,33,35H,12-17H2,1-8H3/t21-,22-,23+,24-,26-,27+,29+,30-,31+,32+/m0/s1 |
| InChIKey | UQQISWXMPCJXQY-DMDMSIRMSA-N |
| Literature Reference Author | J.T.FAN,B.KUANG,G.Z.ZENG,S.M.ZENG,C.J.JI,Y.M.ZHANG,N.H.TAN |
| Literature Reference Citation | J.NAT.PROD.,74,2069(2011) |
| Literature Reference DOI | 10.1021/np2002918 |
| Molecular Weight | 512.730 g/mol |
| Sample ID | 39317 |
| Solvent | C5D5N |