Spektraris NMR
Hypoestme
Common Name: Hypoestme
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-7-20-12-19(5)17(22)10-15(13(2)3)21(19,25-20)9-8-14(4)16(20)11-18(23)24-6/h7-8,10,13,16H,1,9,11-12H2,2-6H3/t16-,19-,20-,21-/m1/s1
InChIKey: InChIKey=UKAKVYDFSAPWKC-QYRPDUKASA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Mossa, J.S., Ramadan, A.F., El-Feraly, F.S., Hufford, C.D. Phytochemistry (1998) 47, 1331-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Fusicoccanes; 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) | 59.6 |
| 2 (CH2) | 49.8 |
| 3 (C) | 88.9 |
| 4 (CH) | 141.6 |
| 5 (C) | 174 |
| 6 (CH2) | 35.1 |
| 7 (CH) | 52 |
| 8 (C) | 139.6 |
| 9 (CH) | 121.7 |
| 10 (CH2) | 31.9 |
| 11 (C) | 94.4 |
| 12 (C) | 182.6 |
| 13 (CH) | 124.2 |
| 14 (C) | 212.1 |
| 15 (CH3) | 20.2 |
| 16 (CH2) | 112.2 |
| 17 (CH3) | 27.6 |
| 18 (CH) | 28.3 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 21.8 |
| 5a (CH3) | 51.5 |
