Spektraris NMR
6a-Hydroxyneopulchellin
Common Name: 6a-Hydroxyneopulchellin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6-,8+,9-,10-,11-,12-,13+,15-/m1/s1
InChIKey: InChIKey=CHHJAEIMNOFHLW-BVHHJFRSSA-N
Formula: C15H22O5
Molecular Weight: 282.33276
Exact Mass: 282.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yu, S.G., Fang, N.B., Mabry, T.J., Abboud, K.A., Simonsen, S.H. Phytochemistry (1988) 27, 2887-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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 (CH) | 46.8 |
| 2 (CH) | 76.7 |
| 3 (CH2) | 42.2 |
| 4 (CH) | 76.7 |
| 5 (C) | 52.9 |
| 6 (CH) | 79.9 |
| 7 (CH) | 51.8 |
| 8 (CH) | 76.7 |
| 9 (CH2) | 35.8 |
| 10 (CH) | 28.6 |
| 11 (C) | 136.9 |
| 12 (C) | 170.3 |
| 13 (CH2) | 126 |
| 14 (CH3) | 19.8 |
| 15 (CH3) | 20.3 |
