Spektraris NMR
Neoverrucosan-5b,9b,18b-triol
Common Name: Neoverrucosan-5b,9b,18b-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h11-17,21-23H,5-10H2,1-4H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1
InChIKey: InChIKey=JAYDSYVXWHKZDH-MUOQQGGZSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
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) | 46.4 |
| 2 (CH) | 21.9 |
| 3 (CH2) | 18 |
| 4 (C) | 27.9 |
| 5 (CH) | 68.8 |
| 6 (CH2) | 46.1 |
| 7 (C) | 38 |
| 8 (CH2) | 43.5 |
| 9 (CH) | 75.3 |
| 10 (C) | 49.4 |
| 11 (CH2) | 37 |
| 12 (CH2) | 20.6 |
| 13 (CH) | 44.9 |
| 14 (CH) | 46 |
| 15 (CH) | 28.7 |
| 16 (CH3) | 15 |
| 17 (CH3) | 22.9 |
| 18 (CH2) | 73.3 |
| 19 (CH3) | 18.5 |
| 20 (CH3) | 12.3 |
