Spektraris NMR
4,4,8-Trimethyl-16-oxa-18-nor-5alpha-androsta-13(17),14-diene-3-one
Common Name: 4,4,8-Trimethyl-16-oxa-18-nor-5alpha-androsta-13(17),14-diene-3-one
Synonyms: 4,4,8-Trimethyl-16-oxa-18-nor-5alpha-androsta-13(17),14-diene-3-one
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-18(2)15-7-9-19(3)14-12-22-11-13(14)5-6-16(19)20(15,4)10-8-17(18)21/h11-12,15-16H,5-10H2,1-4H3/t15-,16-,19-,20-/m0/s1
InChIKey: InChIKey=ZSAKOJOVIGHCNS-FVCZOJIISA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Somerville, M.J., Mollo, E., Cimino, G., Rungprom, W., Garson, M.J. J Nat Prod (2006) 69, 1086-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 39 |
| 2 (CH2) | 33.9 |
| 3 (C) | 217.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 40 |
| 8 (C) | 33.9 |
| 9 (CH) | 55.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 20.5 |
| 13 (C) | 119.4 |
| 14 (C) | 136.9 |
| 15 (CH) | 137 |
| 16 (CH) | 135 |
| 17 (CH3) | 25.5 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 16 |
