| SpectraBase Compound ID | IOPvdgP1se9 |
|---|---|
| InChI | InChI=1S/C33H48O10/c1-10-13-26(36)42-30-24-16-23(41-29(38)19(5)12-3)17-25-32(9,15-14-18(4)11-2)20(6)27(39-21(7)34)28(37)33(24,25)31(43-30)40-22(8)35/h11,16,19-20,23,25,27-28,30-31,37H,2,4,10,12-15,17H2,1,3,5-9H3/t19?,20-,23+,25+,27+,28+,30+,31-,32-,33-/m0/s1 |
| InChIKey | ZWHARZIRGKBMPI-VHLLSUOMSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C33H48O10 |
| Exact Mass | 604.324748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5c2Ks8xyIub |
|---|---|
| Name | CASEAMEMBrIN-D;REL-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-7,9-DIACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6-HYDROXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13(16),14 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O10 |
| InChI | InChI=1S/C33H48O10/c1-10-13-26(36)42-30-24-16-23(41-29(38)19(5)12-3)17-25-32(9,15-14-18(4)11-2)20(6)27(39-21(7)34)28(37)33(24,25)31(43-30)40-22(8)35/h11,16,19-20,23,25,27-28,30-31,37H,2,4,10,12-15,17H2,1,3,5-9H3/t19?,20-,23+,25+,27+,28+,30+,31-,32-,33-/m0/s1 |
| InChIKey | ZWHARZIRGKBMPI-VHLLSUOMSA-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 | 604.738 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP4058 |