Spektraris NMR
3b-Angeloyloxy-8a-hydroxy-6b-methoxyeremophil-7(11),9(10)-dien-8,12-olide
Common Name: 3b-Angeloyloxy-8a-hydroxy-6b-methoxyeremophil-7(11),9(10)-dien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-7-11(2)18(22)26-15-9-8-14-10-21(24)16(12(3)19(23)27-21)17(25-6)20(14,5)13(15)4/h7,10,13,15,17,24H,8-9H2,1-6H3/b11-7-/t13-,15-,17+,20+,21+/m0/s1
InChIKey: InChIKey=PRSQOZKCWFGGER-UGPMKWKOSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mao, M., Jia, Z. Planta Med (2002) 68, 55-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 27.7 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 74.8 |
| 4 (CH) | 46.6 |
| 5 (C) | 50.9 |
| 6 (CH) | 86.8 |
| 7 (C) | 157.4 |
| 8 (C) | 101.6 |
| 9 (CH) | 120.8 |
| 10 (C) | 149.7 |
| 11 (C) | 123 |
| 12 (C) | 171.6 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 14.8 |
| 15 (CH3) | 15.1 |
| 3a (C) | 167.5 |
| 3b (C) | 128.8 |
| 3c (CH) | 138.5 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 21 |
| 6a (CH3) | 57.7 |
