Spektraris NMR
3alpha-Hydroxy-18-methyl-27-norolean-14-ene-28,30-dioic acid
Common Name: 3alpha-Hydroxy-18-methyl-27-norolean-14-ene-28,30-dioic acid
Synonyms: 3alpha-Hydroxy-18-methyl-27-norolean-14-ene-28,30-dioic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)20-10-12-27(4)18-9-14-30(24(34)35)16-15-26(3,23(32)33)17-29(30,6)19(18)7-8-21(27)28(20,5)13-11-22(25)31/h9,19-22,31H,7-8,10-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21-,22+,26-,27-,28-,29-,30-/m0/s1
InChIKey: InChIKey=QRTLBKXEIVPFGG-GWHNFHJESA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhu, M., Phillipson, J.D., Greengrass, P.M., Bowery, N.G. Phytochemistry (1996) 43, 1307-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 33.11 |
| 2 (CH2) | 23.98 |
| 3 (CH) | 73.76 |
| 4 (C) | 37.11 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 25.45 |
| 7 (CH2) | 33.54 |
| 8 (C) | 36.9 |
| 9 (CH) | 48.4 |
| 10 (C) | 36.9 |
| 11 (CH2) | 18 |
| 12 (CH2) | 40.18 |
| 13 (CH) | 46.42 |
| 14 (C) | 136.8 |
| 15 (CH) | 125.4 |
| 16 (CH2) | 23.9 |
| 17 (C) | 55.35 |
| 18 (C) | 43.01 |
| 19 (CH2) | 31.85 |
| 20 (C) | 30.57 |
| 21 (CH2) | 36.17 |
| 22 (CH2) | 22.58 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 23.6 |
| 28 (C) | 178.6 |
| 29 (CH3) | 33.25 |
| 30 (C) | 176.8 |
