Spektraris NMR
Neocrotocembranal
Common Name: Neocrotocembranal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-16(2)20-13-11-18(4)8-5-7-17(3)9-6-10-19(15-21)12-14-20/h7,10-11,13,15-16H,5-6,8-9,12,14H2,1-4H3/b17-7+,18-11+,19-10+,20-13+
InChIKey: InChIKey=SQMACIRXDFOOLF-SKTYWBPTSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran, S., Singtothong, P., Pudhom, K., Ngamrochanavanich, N., Petsom, A., Chaichantipyuth, C. J Nat Prod (1999) 62, 1163-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 146.2 |
| 2 (CH) | 118.4 |
| 3 (CH) | 119.8 |
| 4 (C) | 135.4 |
| 5 (CH2) | 37.4 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 128 |
| 8 (C) | 134 |
| 9 (CH2) | 38.5 |
| 10 (CH2) | 30 |
| 11 (CH) | 155 |
| 12 (C) | 143.9 |
| 13 (CH2) | 24.1 |
| 14 (CH2) | 28.7 |
| 15 (CH) | 34 |
| 16 (CH3) | 22 |
| 17 (CH3) | 22 |
| 18 (CH3) | 18 |
| 19 (CH3) | 17.2 |
| 20 (CH) | 194.7 |
