| SpectraBase Compound ID | 3MwlhccF5w2 |
|---|---|
| InChI | InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10-/t16-,17-,18-,19-,20-,23+/m1/s1 |
| InChIKey | QMYRWKWZINECMT-OKKAXYQKSA-N |
| Mol Weight | 641.5 g/mol |
| Molecular Formula | C28H40IN3O6 |
| Exact Mass | 641.196181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpsrkoGNH6O |
|---|---|
| Name | GEODIAMOLIDE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40IN3O6 |
| InChI | InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10-/t16-,17-,18-,19-,20-,23+/m1/s1 |
| InChIKey | QMYRWKWZINECMT-OKKAXYQKSA-N |
| Literature Reference Author | J.E.COLEMAN,R.VANSOEST,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,62,1137(1999) |
| Literature Reference DOI | 10.1021/np990155o |
| Molecular Weight | 641.547 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG1295 |