| SpectraBase Compound ID | JT5zT66hNKt |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15-16,18,24H,6-9,12H2,1-5H3/t13-,15-,16-,18+,20+,21+,22-/m1/s1 |
| InChIKey | HOIUWXWVVKJHSD-WQPGSDOWSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kvhDfP1VRq |
|---|---|
| Name | ISOPRELEOSIBIRONE_A;3-ALPHA-ACETOXY-9-ALPHA,13-S;15,16-DIEPOXY-7-BETA-HYDROXYLABD-14-EN-6-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15-16,18,24H,6-9,12H2,1-5H3/t13-,15-,16-,18+,20+,21+,22-/m1/s1 |
| InChIKey | HOIUWXWVVKJHSD-WQPGSDOWSA-N |
| Literature Reference Author | H.WU,F.R.FRONCZEK,D.FERREIRA,C.L.BURANDT,J.K.ZJAWIONY |
| Literature Reference Citation | J.NAT.PROD.,74,831(2011) |
| Literature Reference DOI | 10.1021/np100956k |
| Molecular Weight | 392.492 g/mol |
| Sample ID | 37353 |
| Solvent | ACETONE-D6 |