| SpectraBase Compound ID | EDeG0WzfbUA |
|---|---|
| InChI | InChI=1S/C28H40IN3O7/c1-15-9-16(2)11-18(4)39-28(38)19(5)30-26(36)23(13-20-7-8-24(34)21(29)12-20)32(6)27(37)22(14-33)31-25(35)17(3)10-15/h7-9,12,16-19,22-23,33-34H,10-11,13-14H2,1-6H3,(H,30,36)(H,31,35)/b15-9-/t16-,17-,18-,19-,22-,23+/m1/s1 |
| InChIKey | OZGGBCWQMMSVKW-YRCARLSMSA-N |
| Mol Weight | 657.5 g/mol |
| Molecular Formula | C28H40IN3O7 |
| Exact Mass | 657.191096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnJd3dIJXhH |
|---|---|
| Name | GEODIAMOLIDE-O |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40IN3O7 |
| InChI | InChI=1S/C28H40IN3O7/c1-15-9-16(2)11-18(4)39-28(38)19(5)30-26(36)23(13-20-7-8-24(34)21(29)12-20)32(6)27(37)22(14-33)31-25(35)17(3)10-15/h7-9,12,16-19,22-23,33-34H,10-11,13-14H2,1-6H3,(H,30,36)(H,31,35)/b15-9-/t16-,17-,18-,19-,22-,23+/m1/s1 |
| InChIKey | OZGGBCWQMMSVKW-YRCARLSMSA-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 | 657.546 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG1297 |