| SpectraBase Compound ID | BVEPDK0lGd6 |
|---|---|
| InChI | InChI=1S/C25H28O13/c1-11-19-14(8-18(28)36-11)15(23(32)33)9-35-24(19)38-25-22(31)21(30)20(29)16(37-25)10-34-17(27)7-4-12-2-5-13(26)6-3-12/h2-7,9,11,14,16,19-22,24-26,29-31H,8,10H2,1H3,(H,32,33)/b7-4+/t11-,14?,16+,19?,20+,21-,22+,24+,25-/m0/s1 |
| InChIKey | DOEYURMMLVVQGA-IQYIVEMWSA-N |
| Mol Weight | 536.49 g/mol |
| Molecular Formula | C25H28O13 |
| Exact Mass | 536.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ee4AxS3eRc |
|---|---|
| Name | IBOTALACTONE-A |
| Compound Number | 165 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O13 |
| InChI | InChI=1S/C25H28O13/c1-11-19-14(8-18(28)36-11)15(23(32)33)9-35-24(19)38-25-22(31)21(30)20(29)16(37-25)10-34-17(27)7-4-12-2-5-13(26)6-3-12/h2-7,9,11,14,16,19-22,24-26,29-31H,8,10H2,1H3,(H,32,33)/b7-4+/t11-,14?,16+,19?,20+,21-,22+,24+,25-/m0/s1 |
| InChIKey | DOEYURMMLVVQGA-IQYIVEMWSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 536.490 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4536 |