Spektraris NMR
(5ξ,8α,9ξ,10α,16β)-17-Hydroxy-16-methoxykauran-18-al
Common Name: (5ξ,8α,9ξ,10α,16β)-17-Hydroxy-16-methoxykauran-18-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-18(13-22)8-4-9-19(2)16(18)7-10-20-11-15(5-6-17(19)20)21(12-20,14-23)24-3/h13,15-17,23H,4-12,14H2,1-3H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1
InChIKey: InChIKey=NXFLWHAYFVCTRB-XITMGRHOSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Piacente, S., Aquino, R., Detommasi, N., Pizza, C., Deugaz, O.L., Orellana, H.C., Mahmood, N. Phytochemistry (1994) 36, 991-6
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) | 40.8 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 34.9 |
| 4 (C) | 49 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 43 |
| 8 (C) | 45 |
| 9 (CH) | 57.5 |
| 10 (C) | 40.7 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 42.4 |
| 14 (CH2) | 38 |
| 15 (CH2) | 49.7 |
| 16 (C) | 88.3 |
| 17 (CH2) | 60.7 |
| 18 (CH3) | 24.6 |
| 19 (CH) | 207.8 |
| 20 (CH3) | 17.9 |
| 16a (CH3) | 50.1 |
