Spektraris NMR
Ent-erogorgiaene
Common Name: Ent-erogorgiaene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m1/s1
InChIKey: InChIKey=JWQVCYABIGUFIY-LMMKCTJWSA-N
Formula: C20H30
Molecular Weight: 270.452941
Exact Mass: 270.234751
NMR Solvent: C5D5N
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 (CH) | 33.2 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 22 |
| 4 (CH) | 41.9 |
| 5 (CH) | 128.5 |
| 6 (C) | 134.9 |
| 7 (CH) | 126.6 |
| 8 (CH) | 126.9 |
| 9 (C) | 140.6 |
| 10 (C) | 140 |
| 11 (CH) | 37.5 |
| 12 (CH2) | 35.6 |
| 13 (CH2) | 26.8 |
| 14 (CH) | 125.5 |
| 15 (C) | 131 |
| 16 (CH3) | 25.9 |
| 17 (CH3) | 18 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 22.1 |
