Spektraris NMR
(3b,16a)-3-Hydroxyphyllocladan-17-oic Acid
Common Name: (3b,16a)-3-Hydroxyphyllocladan-17-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-18(2)14-6-9-20-10-12(13(11-20)17(22)23)4-5-15(20)19(14,3)8-7-16(18)21/h12-16,21H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14+,15-,16+,19+,20+/m1/s1
InChIKey: InChIKey=QEKFQDWHWQXURE-KUZDCQBHSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shao, Y., Hu, L.H., Sim, K.Y., Goh, S.H. Helv Chim Acta (2006) 89, 64-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 39.16 |
| 2 (CH2) | 27.82 |
| 3 (CH) | 79.69 |
| 4 (C) | 39.92 |
| 5 (CH) | 57.07 |
| 6 (CH2) | 21.19 |
| 7 (CH2) | 41.94 |
| 8 (C) | 45.71 |
| 9 (CH) | 58 |
| 10 (C) | 38.69 |
| 11 (CH2) | 20.47 |
| 12 (CH2) | 33.31 |
| 13 (CH) | 41.04 |
| 14 (CH2) | 49.83 |
| 15 (CH2) | 37.95 |
| 16 (CH) | 49.63 |
| 17 (C) | 181.41 |
| 18 (CH3) | 28.93 |
| 19 (CH3) | 16.46 |
| 20 (CH3) | 15.67 |
