Spektraris NMR
1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene
Common Name: 1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-13(2)7-6-8-14(3)16-11-12-20(5)17-10-9-15(4)19(20)18(16)17/h7,9,14,16-19H,6,8,10-12H2,1-5H3/t14-,16+,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=ZPYIBBZFPVTBNG-BBSFQMCSSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kolesnikova, S.A., Kalinovsky, A.I., Fedorov, S.N., Shubina, L.K., Stonik, V.A. Phytochemistry (2006) 67, 2115-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) | 39.3 |
| 2 (CH2) | 36.2 |
| 3 (CH2) | 20.3 |
| 4 (CH) | 42.9 |
| 5 (CH) | 54.8 |
| 6 (C) | 143.9 |
| 7 (CH) | 116 |
| 8 (CH2) | 30 |
| 9 (CH) | 37 |
| 10 (CH) | 45.2 |
| 11 (CH) | 37.3 |
| 12 (CH2) | 34.2 |
| 13 (CH2) | 25.9 |
| 14 (CH) | 125.1 |
| 15 (C) | 131 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 19.2 |
