Spektraris NMR
BRD-K30470994-001-01-0
Common Name: BRD-K30470994-001-01-0
Synonyms: BRD-K30470994-001-01-0
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-7-9-19(3)16(5-6-17(22)20(19,4)23)18(13,2)11-15(21)14-8-10-24-12-14/h8,10,12-13,16-17,22-23H,5-7,9,11H2,1-4H3/t13-,16-,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=IDSNFIYMRQMCAN-FAQOMCGWSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krebs, H.C., Ramiarantsoa, H. Phytochemistry (1996) 41, 561-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.7 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 76.3 |
| 4 (C) | 76.3 |
| 5 (C) | 42.2 |
| 6 (CH2) | 32.1 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 37.2 |
| 9 (C) | 41.6 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 47.8 |
| 12 (C) | 195.4 |
| 13 (C) | 129.8 |
| 14 (CH) | 144.1 |
| 15 (CH) | 108.9 |
| 16 (CH) | 146.8 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 17.6 |
