| SpectraBase Compound ID | 9FzyC5L5RWZ |
|---|---|
| InChI | InChI=1S/C30H38O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-24,26-29,31-33,35-37H,1-5,9,14-16H2/t19-,23+,24+,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | CMJPNYIQFRFOER-OFIBLKSTSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C30H38O12 |
| Exact Mass | 590.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HalChiZQrBD |
|---|---|
| Name | ACEROKETOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O12 |
| InChI | InChI=1S/C30H38O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-24,26-29,31-33,35-37H,1-5,9,14-16H2/t19-,23+,24+,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | CMJPNYIQFRFOER-OFIBLKSTSA-N |
| Literature Reference Author | T.MORIKAWA,J.TAO,I.TOGUCHIDA,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | J.NAT.PROD.,66,86(2003) |
| Literature Reference DOI | 10.1021/np020351m |
| Molecular Weight | 590.625 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16689 |