Spektraris NMR
(3R,4S,5R,7S,9R)-3-Hydroxy-9-(3-methylbutenoyloxy)-solavetivone
Common Name: (3R,4S,5R,7S,9R)-3-Hydroxy-9-(3-methylbutenoyloxy)-solavetivone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3/t14-,15-,17-,19-,20+/m1/s1
InChIKey: InChIKey=RPRWJJHYAIVFEN-LDAIKLSLSA-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) | 125.2 |
| 2 (C) | 199.7 |
| 3 (CH) | 73.2 |
| 4 (CH) | 48.1 |
| 5 (C) | 54.6 |
| 6 (CH2) | 40.8 |
| 7 (CH) | 42.6 |
| 8 (CH2) | 37.5 |
| 9 (CH) | 79.8 |
| 10 (C) | 167.3 |
| 11 (C) | 147.2 |
| 12 (CH3) | 21.3 |
| 13 (CH2) | 109.3 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 13.5 |
| 9a (C) | 165.6 |
| 9b (CH) | 115.3 |
| 9c (C) | 159.1 |
| 9d (CH3) | 20.3 |
| 9e (CH3) | 27.5 |
