Spektraris NMR
Neoverrucosan-5b,9b-diol
Common Name: Neoverrucosan-5b,9b-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-11(2)12-6-7-19(4)14(21)9-18(3)10-15(22)20(5)8-13(20)17(18)16(12)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1
InChIKey: InChIKey=AETSXIGZEHSKGX-OUBCPKIQSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Spyere, A., Rowley, D.C., Jensen, P.R., Fenical, W. J Nat Prod (2003) 66, 818-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neoverrucosanes; 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 (CH) | 47.2 |
| 2 (CH) | 25 |
| 3 (CH2) | 20.1 |
| 4 (C) | 22 |
| 5 (CH) | 71.2 |
| 6 (CH2) | 47.2 |
| 7 (C) | 38.3 |
| 8 (CH2) | 43.7 |
| 9 (CH) | 75.7 |
| 10 (C) | 49.6 |
| 11 (CH2) | 37.1 |
| 12 (CH2) | 22 |
| 13 (CH) | 45.1 |
| 14 (CH) | 46.8 |
| 15 (CH) | 28.7 |
| 16 (CH3) | 15.1 |
| 17 (CH3) | 23 |
| 18 (CH3) | 26.2 |
| 19 (CH3) | 18.8 |
| 20 (CH3) | 12.4 |
