Spektraris NMR
Scutedrummonin
Common Name: Scutedrummonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-8-17(22)20(4)13(2)7-15(21)10-16(20)19(12,3)6-5-14-9-18(23)24-11-14/h9,12,15-17,21-22H,2,5-8,10-11H2,1,3-4H3/t12-,15+,16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=KVNYIQMJQBEPJT-NHJWICSWSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Flores, E., Hernandezortega, S., Toscano, R.A. Phytochemistry (1995) 38, 175-9
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) | 30.8 |
| 2 (CH) | 71.7 |
| 3 (CH2) | 42.7 |
| 4 (C) | 152.7 |
| 5 (C) | 45.1 |
| 6 (CH) | 73.9 |
| 7 (CH2) | 35.2 |
| 8 (CH) | 34.6 |
| 9 (C) | 38.9 |
| 10 (CH) | 44.7 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 22 |
| 13 (C) | 170.2 |
| 14 (CH) | 115.2 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 15.2 |
| 18 (CH2) | 106.8 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 17.6 |
