Spektraris NMR
Helioscopinolide B
Common Name: Helioscopinolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3/t14-,15-,16-,17+,20+/m1/s1
InChIKey: InChIKey=KZIADLALQLRZIQ-PANQXIRQSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - CrespiPerellino, N., Garofano, L., Arlandini, E., Pinciroli, V., Minghetti, A., Vincieri, F.F., Danieli, B. J Nat Prod (1996) 59, 773-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 32.1 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 75.6 |
| 4 (C) | 37.8 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 37.1 |
| 8 (C) | 152 |
| 9 (CH) | 51.6 |
| 10 (C) | 41.3 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 76 |
| 13 (C) | 156 |
| 14 (CH) | 114.1 |
| 15 (C) | 116.4 |
| 16 (C) | 175.2 |
| 17 (CH3) | 8.2 |
| 18 (CH3) | 22.2 |
| 19 (CH3) | 28.7 |
| 20 (CH3) | 16.7 |
