Spektraris NMR
(1S,4S,5R,8S,9S)-Clovane5,9,12-triol
Common Name: (1S,4S,5R,8S,9S)-Clovane5,9,12-triol
Synonyms: (1S,4S,5R,8S,9S)-Clovane5,9,12-triol
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-13(2)7-12(18)15-6-4-11(17)14(8-15,9-16)5-3-10(13)15/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,14-,15-/m0/s1
InChIKey: InChIKey=JPTKHPFZGJJGML-XXUMUBMXSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., Siddiqui, Z.A., Nawaz, S.A., Atta ur, R. J Nat Prod (2006) 69, 1429-34
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Clovanes; 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) | 36.5 |
| 2 (CH) | 72 |
| 3 (CH2) | 45 |
| 4 (C) | 35.5 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 26 |
| 8 (C) | 63.5 |
| 9 (CH) | 80.5 |
| 10 (CH2) | 43.6 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 29.8 |
| 13 (CH3) | 28.5 |
| 14 (CH3) | 35.2 |
| 15 (CH2) | 71.5 |
