| SpectraBase Compound ID | EHiGguSL1kd |
|---|---|
| InChI | InChI=1S/C25H36O12/c1-12(7-9-26)5-4-6-13(2)21(31)35-20-19-24(3,37-19)18-23(33-10-8-25(18,20)32)36-22-17(30)16(29)15(28)14(11-27)34-22/h6-8,10,14-20,22-23,26-30,32H,4-5,9,11H2,1-3H3/b12-7-,13-6+/t14-,15-,16+,17-,18?,19-,20+,22+,23-,24+,25-/m0/s1 |
| InChIKey | FDJDEDBOZYHHNN-NNAZCQMGSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C25H36O12 |
| Exact Mass | 528.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1fJaqdALp6 |
|---|---|
| Name | 6-O-NEROL-8-OYLANTIRRINOSIDE |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O12 |
| InChI | InChI=1S/C25H36O12/c1-12(7-9-26)5-4-6-13(2)21(31)35-20-19-24(3,37-19)18-23(33-10-8-25(18,20)32)36-22-17(30)16(29)15(28)14(11-27)34-22/h6-8,10,14-20,22-23,26-30,32H,4-5,9,11H2,1-3H3/b12-7-,13-6+/t14-,15-,16+,17-,18?,19-,20+,22+,23-,24+,25-/m0/s1 |
| InChIKey | FDJDEDBOZYHHNN-NNAZCQMGSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 528.554 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16026 |