Spektraris NMR
4-Acetoxyrudmollin
Common Name: 4-Acetoxyrudmollin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O5/c1-9-6-14-12(10(2)16(20)22-14)7-17(8-18)13(9)4-5-15(17)21-11(3)19/h9,12-15,18H,2,4-8H2,1,3H3/t9-,12+,13-,14+,15-,17+/m0/s1
InChIKey: InChIKey=ACNXNUFAMRWFQW-AZQFOKQKSA-N
Formula: C17H24O5
Molecular Weight: 308.370113
Exact Mass: 308.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Kumar, N., Blount, J.F. J Org Chem (1981) 46, 1356
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) | 44.4 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 27.1 |
| 4 (CH) | 79.7 |
| 5 (C) | 48.9 |
| 6 (CH2) | 36 |
| 7 (CH) | 37.4 |
| 8 (CH) | 79.9 |
| 9 (CH2) | 34.6 |
| 10 (CH) | 30.2 |
| 11 (C) | 140.3 |
| 12 (C) | 169.4 |
| 13 (CH2) | 122.5 |
| 14 (CH3) | 16.4 |
| 15 (CH2) | 63.6 |
| 4a (C) | 170.5 |
| 4b (CH3) | 21 |
