Common Name: 3a-Hydroxy-4a,5a-epoxy-7-oxo-(8[7-->6]-abeoamorphane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-8(2)12(17)15-6-5-9(3)10(15)7-11(16)14(4)13(15)18-14/h8-11,13,16H,5-7H2,1-4H3/t9-,10+,11-,13-,14-,15+/m1/s1
InChIKey: InChIKey=LYIWLJIKHQNNCM-FRFSUOBISA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brown, G.D., Liang, G.Y., Sy, L.K. Phytochemistry (2003) 64, 303-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Abeo-Amorphanes; 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)
Position | PPM |
---|---|
1 (CH) | 45.1 |
2 (CH2) | 27.7 |
3 (CH) | 67.9 |
4 (C) | 60.6 |
5 (CH) | 67.3 |
6 (C) | 56.9 |
7 (C) | 214.8 |
8 (CH2) | 33.7 |
9 (CH2) | 33.6 |
10 (CH) | 37.3 |
11 (CH) | 36.9 |
12 (CH3) | 20.6 |
13 (CH3) | 19.6 |
14 (CH3) | 19.3 |
15 (CH3) | 17.5 |