| SpectraBase Compound ID | 6qOiJsaHTtG |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-16-9-10-30(24(35)36)12-11-27(4)17(22(30)29(16,6)37)7-8-19-25(2)14-18(32)23(34)26(3,15-31)20(25)13-21(33)28(19,27)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18?,19-,20?,21+,22+,23?,25?,26?,27+,28-,29+,30-/m1/s1 |
| InChIKey | MFLJCLIQMLUADF-PLHRMAAPSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6agiEhXf0Y |
|---|---|
| Name | 7.alpha.,23-Hydroxy-tormentic-acid |
| Comments | APT, DEPT, INE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-16-9-10-30(24(35)36)12-11-27(4)17(22(30)29(16,6)37)7-8-19-25(2)14-18(32)23(34)26(3,15-31)20(25)13-21(33)28(19,27)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18?,19-,20?,21+,22+,23?,25?,26?,27+,28-,29+,30-/m1/s1 |
| InChIKey | MFLJCLIQMLUADF-PLHRMAAPSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 25, 1939 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |