Spektraris NMR
Virescenosides Q
Common Name: Virescenosides Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O7/c1-5-24(2)10-8-16-15(12-24)6-7-18-25(16,3)11-9-19(28)26(18,4)14-32-23-22(31)21(30)20(29)17(13-27)33-23/h5-6,16-23,27-31H,1,7-14H2,2-4H3/t16-,17+,18+,19-,20+,21-,22-,23+,24-,25+,26+/m0/s1
InChIKey: InChIKey=MNLKJAWNYVVDPI-BSMMYCGNSA-N
Formula: C26H42O7
Molecular Weight: 466.608479
Exact Mass: 466.293054
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Afiyatullov, S., Kalinovsky, A.I., Kuznetsova, T.A., Isakov, V.V., Pivkin, M.V., Dmitrenok, P.S., Elyakov, G.B. J Nat Prod (2002) 65, 641-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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 (CH2) | 38.3 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 79 |
| 4 (C) | 42.6 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 122 |
| 8 (C) | 135.4 |
| 9 (CH) | 52.1 |
| 10 (C) | 35.3 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 36.2 |
| 13 (C) | 36.9 |
| 14 (CH2) | 46.1 |
| 15 (CH) | 150.4 |
| 16 (CH2) | 109.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 24.1 |
| 19 (CH2) | 71.3 |
| 20 (CH3) | 15.6 |
| 1' (CH) | 102.5 |
| 2' (CH) | 71.7 |
| 3' (CH) | 75.6 |
| 4' (CH) | 68.9 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.8 |
