| SpectraBase Compound ID | xbpibjg1hO |
|---|---|
| InChI | InChI=1S/C27H36O16/c1-3-10-6-27(43-22(10)35)5-4-11-12(23(36)37-2)8-38-24(15(11)27)42-26-21(34)19(32)17(30)14(41-26)9-39-25-20(33)18(31)16(29)13(7-28)40-25/h4-6,8,11,13-21,24-26,28-34H,3,7,9H2,1-2H3/t11-,13+,14+,15-,16+,17+,18-,19-,20+,21+,24+,25+,26-,27-/m1/s1 |
| InChIKey | VQOODROKUKLFAP-JURJQXNFSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C27H36O16 |
| Exact Mass | 616.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWgg0AUIQrp |
|---|---|
| Name | ALLAMANOID |
| Compound Number | 52 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O16 |
| InChI | InChI=1S/C27H36O16/c1-3-10-6-27(43-22(10)35)5-4-11-12(23(36)37-2)8-38-24(15(11)27)42-26-21(34)19(32)17(30)14(41-26)9-39-25-20(33)18(31)16(29)13(7-28)40-25/h4-6,8,11,13-21,24-26,28-34H,3,7,9H2,1-2H3/t11-,13+,14+,15-,16+,17+,18-,19-,20+,21+,24+,25+,26-,27-/m1/s1 |
| InChIKey | VQOODROKUKLFAP-JURJQXNFSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,R.BANIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,803(2011) |
| Literature Reference DOI | 10.1248/cpb.59.803 |
| Molecular Weight | 616.573 g/mol |
| Source File Reference | UWIR3281 |