| SpectraBase Compound ID | HixAuqflKuz |
|---|---|
| InChI | InChI=1S/C35H54O7/c1-21-12-17-35(29(38)40-9)19-18-32(6)24(28(35)34(21,8)39)10-11-26-30(4)15-14-27(42-23(3)37)31(5,20-41-22(2)36)25(30)13-16-33(26,32)7/h10,21,25-28,39H,11-20H2,1-9H3/t21-,25?,26-,27?,28+,30?,31?,32+,33+,34+,35-/m1/s1 |
| InChIKey | CABQUSYDWFZFIE-MDWGVSJSSA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C35H54O7 |
| Exact Mass | 586.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nGifGaUqRd |
|---|---|
| Name | Methyl-diacetylrotundate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H54O7 |
| InChI | InChI=1S/C35H54O7/c1-21-12-17-35(29(38)40-9)19-18-32(6)24(28(35)34(21,8)39)10-11-26-30(4)15-14-27(42-23(3)37)31(5,20-41-22(2)36)25(30)13-16-33(26,32)7/h10,21,25-28,39H,11-20H2,1-9H3/t21-,25?,26-,27?,28+,30?,31?,32+,33+,34+,35-/m1/s1 |
| InChIKey | CABQUSYDWFZFIE-MDWGVSJSSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 23, 627 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |