Spektraris NMR
(3R,4S,5R,7S,9R)-3-Hydroxy-9-isobutanoylsolavetivone
Common Name: (3R,4S,5R,7S,9R)-3-Hydroxy-9-isobutanoylsolavetivone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-10(2)14-8-16(23-18(22)11(3)4)19(9-14)12(5)7-15(20)17(21)13(19)6/h7,11,13-14,16-17,21H,1,8-9H2,2-6H3/t13-,14-,16-,17-,19+/m1/s1
InChIKey: InChIKey=HNJISOISTGHIEE-PFFDZEIZSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
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) | 125.3 |
| 2 (C) | 199.6 |
| 3 (CH) | 73.5 |
| 4 (CH) | 50 |
| 5 (C) | 54.6 |
| 6 (CH2) | 41.1 |
| 7 (CH) | 42.8 |
| 8 (CH2) | 37.6 |
| 9 (CH) | 80.2 |
| 10 (C) | 167.1 |
| 11 (C) | 147.2 |
| 12 (CH3) | 21.4 |
| 13 (CH2) | 109.5 |
| 14 (CH3) | 21.6 |
| 15 (CH3) | 13.5 |
| 9a (C) | 176.5 |
| 9b (CH) | 34.3 |
| 9c (CH3) | 19.3 |
| 9d (CH3) | 18.9 |
