Spektraris NMR
(3R,4S,5R,7S,9R)-3-Hydroxy-9-tigloyloxysolaveritone
Common Name: (3R,4S,5R,7S,9R)-3-Hydroxy-9-tigloyloxysolaveritone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-7-12(4)19(23)24-17-9-15(11(2)3)10-20(17)13(5)8-16(21)18(22)14(20)6/h7-8,14-15,17-18,22H,2,9-10H2,1,3-6H3/b12-7+/t14-,15-,17-,18-,20+/m1/s1
InChIKey: InChIKey=PRZHJEFHHOMZQJ-UFXSKVETSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - rakawa, T., Mikami, Y., Yoshida, K., Kawahar, N., Hayashi, T., Ishimaru, H. J Nat Prod (1998) 61, 1516-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Spirovetivanes; 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) | 125.1 |
| 2 (C) | 199.7 |
| 3 (CH) | 73.1 |
| 4 (CH) | 47.8 |
| 5 (C) | 54.5 |
| 6 (CH2) | 41.2 |
| 7 (CH) | 42.4 |
| 8 (CH2) | 37.4 |
| 9 (CH) | 79.7 |
| 10 (C) | 167.1 |
| 11 (C) | 147.1 |
| 12 (CH3) | 21.3 |
| 13 (CH2) | 109.3 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 13.5 |
| 9a (C) | 167.5 |
| 9b (C) | 128.3 |
| 9c (CH) | 138.7 |
| 9d (CH3) | 14.6 |
| 9ba (CH3) | 12.4 |
