| SpectraBase Compound ID | 1J3rlsktYUX |
|---|---|
| InChI | InChI=1S/2C29H44O10/c2*1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h2*15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20+,21-,22+,23+,24+,26-,27+,28+,29+;15?,16-,19+,20+,21-,22+,23+,24-,26-,27+,28+,29+/m11/s1 |
| InChIKey | RQNVZBLHRWQQBU-RSLSJREYSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C58H88O20 |
| Exact Mass | 1104.586895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3XBK44PRPv |
|---|---|
| Name | SCUTELATERIN-C;(11S,13S,15R/S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLERODAN-15-OL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H88O20 |
| InChI | InChI=1S/2C29H44O10/c2*1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h2*15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20+,21-,22+,23+,24+,26-,27+,28+,29+;15?,16-,19+,20+,21-,22+,23+,24-,26-,27+,28+,29+/m11/s1 |
| InChIKey | RQNVZBLHRWQQBU-RSLSJREYSA-N |
| Literature Reference Author | M.BRUNO,M.CRUCIATA,M.L.BONDI,F.PIOZZI,M.C.D.L.TORRE,B.RODRIG UEZ,O.SERVETTAZ |
| Literature Reference Citation | PHYTOCHEM.,48,687(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01032-7 |
| Molecular Weight | 1105.325 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1146 |