| SpectraBase Compound ID | HOPPrQptr5B |
|---|---|
| InChI | InChI=1S/C34H52O8/c1-20(36)42-26-23(37)18-30(3)24(31(26,4)19-35)11-12-33(6)25(30)10-9-21-22-17-29(2,27(38)40-7)13-15-34(22,28(39)41-8)16-14-32(21,33)5/h9,22-26,35,37H,10-19H2,1-8H3/t22-,23?,24?,25?,26?,29+,30?,31?,32+,33?,34-/m1/s1 |
| InChIKey | JSJYGXQIYCECRM-UNPSSLLMSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C34H52O8 |
| Exact Mass | 588.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFAOYpaVp2J |
|---|---|
| Name | 3.alpha.-Acetyl-30.beta.-methyloleanate-12-en-2.beta.,23.alpha.-diol-28.beta.-carboxymethylester |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C34H52O8 |
| InChI | InChI=1S/C34H52O8/c1-20(36)42-26-23(37)18-30(3)24(31(26,4)19-35)11-12-33(6)25(30)10-9-21-22-17-29(2,27(38)40-7)13-15-34(22,28(39)41-8)16-14-32(21,33)5/h9,22-26,35,37H,10-19H2,1-8H3/t22-,23?,24?,25?,26?,29+,30?,31?,32+,33?,34-/m1/s1 |
| InChIKey | JSJYGXQIYCECRM-UNPSSLLMSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 23, 2893 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |