Spektraris NMR
(16R)-Ent-3a-hydroxykauran-15-one
Common Name: (16R)-Ent-3a-hydroxykauran-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12-13-5-6-15-19(4)9-8-16(21)18(2,3)14(19)7-10-20(15,11-13)17(12)22/h12-16,21H,5-11H2,1-4H3/t12-,13-,14-,15+,16+,19-,20-/m1/s1
InChIKey: InChIKey=WVRUDMJRXJVJFM-KORQSVFKSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Kondoh, M., Uematsu, T., Nishiyama, A., Saito, S., Sato, M., Asakawa, Y. Chem Pharm Bull (2002) 50, 808-13
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) | 32.3 |
| 2 (CH2) | 25 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.5 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34 |
| 8 (C) | 52.6 |
| 9 (CH) | 52 |
| 10 (C) | 39.5 |
| 11 (CH2) | 18 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 34.9 |
| 14 (CH2) | 37.4 |
| 15 (C) | 224.7 |
| 16 (CH) | 47.7 |
| 17 (CH3) | 10.1 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 17.4 |
