| SpectraBase Compound ID | 4Gwv4KSW3AR |
|---|---|
| InChI | InChI=1S/C35H38O19/c1-15-29-22(12-28(42)47-15)23(33(43)44)13-46-34(29)54-35-32(52-20(6)40)31(51-19(5)39)30(50-18(4)38)26(53-35)14-45-27(41)10-8-21-7-9-24(48-16(2)36)25(11-21)49-17(3)37/h7-11,13,15,22,26,29-32,34-35H,12,14H2,1-6H3,(H,43,44)/b10-8+/t15-,22?,26+,29?,30+,31-,32+,34+,35-/m0/s1 |
| InChIKey | VWZGCRJHXILEJZ-TWZBRGDHSA-N |
| Mol Weight | 762.7 g/mol |
| Molecular Formula | C35H38O19 |
| Exact Mass | 762.200729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jmb78ZNK4h |
|---|---|
| Name | IBOTALACTONE-B-PENTAACETATE |
| Compound Number | 166 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H38O19 |
| InChI | InChI=1S/C35H38O19/c1-15-29-22(12-28(42)47-15)23(33(43)44)13-46-34(29)54-35-32(52-20(6)40)31(51-19(5)39)30(50-18(4)38)26(53-35)14-45-27(41)10-8-21-7-9-24(48-16(2)36)25(11-21)49-17(3)37/h7-11,13,15,22,26,29-32,34-35H,12,14H2,1-6H3,(H,43,44)/b10-8+/t15-,22?,26+,29?,30+,31-,32+,34+,35-/m0/s1 |
| InChIKey | VWZGCRJHXILEJZ-TWZBRGDHSA-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 | 762.675 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4537 |