| SpectraBase Compound ID | 7h7A98jeyef |
|---|---|
| InChI | InChI=1S/C31H46O8/c1-9-12-26(34)38-28-23-16-22(37-27(35)19(5)11-3)17-24-30(8,14-13-18(4)10-2)20(6)15-25(33)31(23,24)29(39-28)36-21(7)32/h10,16,19-20,22,24-25,28-29,33H,2,4,9,11-15,17H2,1,3,5-8H3/t19?,20-,22+,24+,25+,28+,29-,30-,31-/m0/s1 |
| InChIKey | TZJHOPZZDGIPGM-RKJNHNLOSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C31H46O8 |
| Exact Mass | 546.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0km5337iYZ |
|---|---|
| Name | CASEAMEMBrIN-A;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6-HYDROXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13(16),14-TRIENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O8 |
| InChI | InChI=1S/C31H46O8/c1-9-12-26(34)38-28-23-16-22(37-27(35)19(5)11-3)17-24-30(8,14-13-18(4)10-2)20(6)15-25(33)31(23,24)29(39-28)36-21(7)32/h10,16,19-20,22,24-25,28-29,33H,2,4,9,11-15,17H2,1,3,5-8H3/t19?,20-,22+,24+,25+,28+,29-,30-,31-/m0/s1 |
| InChIKey | TZJHOPZZDGIPGM-RKJNHNLOSA-N |
| Literature Reference Author | Y.C.SHEN,C.H.WANG,Y.B.CHENG,L.T.WANG,J.H.GUH,C.T.CHIEN,A.T.K HALIL |
| Literature Reference Citation | J.NAT.PROD.,67,316(2004) |
| Literature Reference DOI | 10.1021/np0303658 |
| Molecular Weight | 546.701 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP4055 |