| SpectraBase Compound ID | EkrXzjQFqWS |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-21(34)37-26-13-14-31(6)24(28(26,2)3)12-15-33(8)25(31)11-10-22-23-20-30(5,27(35)36-9)17-16-29(23,4)18-19-32(22,33)7/h10,23-26H,11-20H2,1-9H3/t23-,24?,25?,26?,29+,30+,31?,32+,33?/m1/s1 |
| InChIKey | KZTMPTOSZBKPSI-YCJGHRBKSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkUDwr5Kav |
|---|---|
| Name | 3.beta.-Acetoxy-olean-12-en-29-oic-acid, methylester |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-21(34)37-26-13-14-31(6)24(28(26,2)3)12-15-33(8)25(31)11-10-22-23-20-30(5,27(35)36-9)17-16-29(23,4)18-19-32(22,33)7/h10,23-26H,11-20H2,1-9H3/t23-,24?,25?,26?,29+,30+,31?,32+,33?/m1/s1 |
| InChIKey | KZTMPTOSZBKPSI-YCJGHRBKSA-N |
| Instrument Name | SF = 080 MHz |
| Literature Reference | Phytochem. 27, 531 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |