Spektraris NMR
3alpha-Hydroxyolean-18-en-28-oic acid methyl ester
Common Name: 3alpha-Hydroxyolean-18-en-28-oic acid methyl ester
Synonyms: 3alpha-Hydroxyolean-18-en-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h19-20,22-24,32H,9-18H2,1-8H3/t20-,22+,23-,24-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=JDNJALCACXLCSD-LCPDSJILSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tori, M., Aoki, M., Nakashima, K., Asakawa, Y. Phytochemistry (1995) 39, 99-103
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH2) | 33.6 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.6 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.4 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 26 |
| 13 (CH) | 41.2 |
| 14 (C) | 42.6 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 33.6 |
| 17 (C) | 48.2 |
| 18 (C) | 137.2 |
| 19 (CH) | 132.5 |
| 20 (C) | 32 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 33.6 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15 |
| 28 (C) | 177.3 |
| 29 (CH3) | 30.4 |
| 30 (CH3) | 29.1 |
| 28a (CH3) | 51.9 |
