Spektraris NMR
3b-Angeloyloxy-6b,8a-dihydroxyeremephil-7(11), 9(10)-dien-8,12-olida
Common Name: 3b-Angeloyloxy-6b,8a-dihydroxyeremephil-7(11), 9(10)-dien-8,12-olida
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)17(22)25-14-8-7-13-9-20(24)15(11(3)18(23)26-20)16(21)19(13,5)12(14)4/h6,9,12,14,16,21,24H,7-8H2,1-5H3/b10-6-/t12-,14-,16+,19+,20+/m0/s1
InChIKey: InChIKey=YGLWOPSYLJYZQF-LSNGLYKXSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 28 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 74.9 |
| 4 (CH) | 46.4 |
| 5 (C) | 51 |
| 6 (CH) | 76.6 |
| 7 (C) | 160 |
| 8 (C) | 101.4 |
| 9 (CH) | 120.5 |
| 10 (C) | 150.2 |
| 11 (C) | 123.1 |
| 12 (C) | 172 |
| 13 (CH3) | 8.6 |
| 14 (CH3) | 14.8 |
| 15 (CH3) | 15.1 |
| 3a (C) | 167.5 |
| 3b (C) | 128.9 |
| 3c (CH) | 138.4 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 21 |
