Spektraris NMR
1-α,3-β-dihydroxy-cycloart-24-ene-30-carboxylic acid methyl ester
Common Name: 1-α,3-β-dihydroxy-cycloart-24-ene-30-carboxylic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-19(2)20(3)9-10-21(4)22-13-14-29(6)23-11-12-24-30(7,27(35)36-8)25(33)17-26(34)32(24)18-31(23,32)16-15-28(22,29)5/h19,21-26,33-34H,3,9-18H2,1-2,4-8H3/t21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,32-/m1/s1
InChIKey: InChIKey=WQTICGCFXVQHNL-WSDGBASZSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Ganzera, M., Ellmerer-Muller, E.P., Stuppner, H. Phytochemistry (1998) 49, 835-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 73 |
| 2 (CH2) | 37.1 |
| 3 (CH) | 70.9 |
| 4 (C) | 55.9 |
| 5 (CH) | 38.1 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 49.4 |
| 9 (C) | 21.7 |
| 10 (C) | 29.7 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 36.5 |
| 13 (C) | 46 |
| 14 (C) | 48.8 |
| 15 (CH2) | 33.6 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 53.1 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30.4 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 35.7 |
| 23 (CH2) | 32 |
| 24 (C) | 157.4 |
| 25 (CH) | 34.7 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 22.3 |
| 28 (C) | 178.9 |
| 29 (CH3) | 8.9 |
| 30 (CH3) | 18.7 |
| 24a (CH2) | 106.6 |
| 28a (CH3) | 52.1 |
