Spektraris NMR
(5β,8α,9β,10α)-17-Hydroxykauran-18-oic acid
Common Name: (5β,8α,9β,10α)-17-Hydroxykauran-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=HHAMKMUMKLXDFQ-IHAQYFQTSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shao, Y., Bai, N.S., Zhou, B.N. Phytochemistry (1996) 42, 783-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 41.4 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38.9 |
| 4 (C) | 45.2 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 42.3 |
| 8 (C) | 44.1 |
| 9 (CH) | 55.9 |
| 10 (C) | 40.2 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 32.1 |
| 13 (CH) | 38.9 |
| 14 (CH2) | 37.6 |
| 15 (CH2) | 46 |
| 16 (CH) | 41.4 |
| 17 (CH2) | 67.2 |
| 18 (CH3) | 29.5 |
| 19 (C) | 180.1 |
| 20 (CH3) | 16.2 |
