| SpectraBase Compound ID | KCHH99vC9bw |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-26(2)21-10-13-30(6)22(28(21,4)12-11-23(26)32)9-8-19-20-18-27(3,25(35)36-7)14-16-31(20,24(33)34)17-15-29(19,30)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,23?,27+,28?,29+,30?,31-/m1/s1 |
| InChIKey | BZXSGMYHHGCPEN-KFYIGLEVSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C31H48O5 |
| Exact Mass | 500.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aFgP6qzrrt |
|---|---|
| Name | 3.beta.-Hydroxy-30.beta.-methyloleanate-12-en-28.beta.-oic-acid |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-26(2)21-10-13-30(6)22(28(21,4)12-11-23(26)32)9-8-19-20-18-27(3,25(35)36-7)14-16-31(20,24(33)34)17-15-29(19,30)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21?,22?,23?,27+,28?,29+,30?,31-/m1/s1 |
| InChIKey | BZXSGMYHHGCPEN-KFYIGLEVSA-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 |