Common Name: (1S)-Dictamdiol
Synonyms: (1S)-Dictamdiol
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-8-10(16)3-5-15(2)11(8)12(17)14(18)20-13(15)9-4-6-19-7-9/h4,6-7,10,12-13,16-17H,3,5H2,1-2H3/t10-,12-,13-,15+/m1/s1
InChIKey: InChIKey=XWGNIHFUPLLNBR-OPQSFPLASA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhao, P.H., Sun, L.M., Liu, X.J., Cao, M.A., Yuan, C.S. Chem Pharm Bull (2008) 56, 102-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 |
---|---|
8 (C) | 137.4 |
9 (CH) | 67.7 |
11 (CH2) | 27.8 |
12 (CH2) | 28 |
13 (C) | 40 |
14 (C) | 136 |
15 (CH) | 67.6 |
16 (C) | 171.1 |
17 (CH) | 79.6 |
18 (CH3) | 17.5 |
20 (C) | 121.7 |
21 (CH) | 142.2 |
22 (CH) | 110.9 |
23 (CH) | 144 |
30 (CH3) | 17.1 |