Common Name: (1R)-1-Methyl-4beta-isopropyl-6-(acetoxymethyl)-1,2,3,4,4abeta,7,8,8aalpha-octahydronaphthalene-1alpha-ol
Synonyms: (1R)-1-Methyl-4beta-isopropyl-6-(acetoxymethyl)-1,2,3,4,4abeta,7,8,8aalpha-octahydronaphthalene-1alpha-ol
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-11(2)14-7-8-17(4,19)16-6-5-13(9-15(14)16)10-20-12(3)18/h9,11,14-16,19H,5-8,10H2,1-4H3/t14-,15-,16+,17+/m0/s1
InChIKey: InChIKey=XLTDPRQIEUARTG-MWDXBVQZSA-N
Formula: C17H28O3
Molecular Weight: 280.403066
Exact Mass: 280.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, Y.L. J Nat Prod (2002) 65, 25-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 49.7 |
2 (CH2) | 22.1 |
3 (CH2) | 26.7 |
4 (C) | 133.7 |
5 (CH) | 127.4 |
6 (CH) | 39.8 |
7 (CH) | 46.2 |
8 (CH2) | 22 |
9 (CH2) | 42.1 |
10 (C) | 72.3 |
11 (CH) | 26 |
12 (CH3) | 15.1 |
13 (CH3) | 21.4 |
14 (CH2) | 68.8 |
15 (CH3) | 20.7 |
14a (C) | 171 |
14b (CH3) | 21 |