| SpectraBase Compound ID | 41KZ5SuBp3Z |
|---|---|
| InChI | InChI=1S/C30H41ClO12/c1-9-10-22(35)42-21-13-20(40-17(5)33)28(7)19(39-16(4)32)12-11-14(2)23(31)25-30(38,15(3)27(36)43-25)26(41-18(6)34)24(28)29(21,8)37/h11-12,15,19-21,23-26,37-38H,2,9-10,13H2,1,3-8H3/b12-11-/t15-,19-,20-,21+,23-,24+,25-,26-,28-,29+,30-/m0/s1 |
| InChIKey | KNEHHUWPBUXWSG-UKOJITJMSA-N |
| Mol Weight | 629.1 g/mol |
| Molecular Formula | C30H41ClO12 |
| Exact Mass | 628.228654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 373Vc2VU5dx |
|---|---|
| Name | BRIAREIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H41ClO12 |
| InChI | InChI=1S/C30H41ClO12/c1-9-10-22(35)42-21-13-20(40-17(5)33)28(7)19(39-16(4)32)12-11-14(2)23(31)25-30(38,15(3)27(36)43-25)26(41-18(6)34)24(28)29(21,8)37/h11-12,15,19-21,23-26,37-38H,2,9-10,13H2,1,3-8H3/b12-11-/t15-,19-,20-,21+,23-,24+,25-,26-,28-,29+,30-/m0/s1 |
| InChIKey | KNEHHUWPBUXWSG-UKOJITJMSA-N |
| Literature Reference Author | A.D.RODRIGUEZ,C.RAMIREZ,O.M.COBAR |
| Literature Reference Citation | J.NAT.PROD.,59,15(1996) |
| Literature Reference DOI | 10.1021/np960001y |
| Molecular Weight | 629.101 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP869 |