Spektraris NMR
Virescenoside S
Common Name: Virescenoside S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O8/c1-5-24(2)8-6-15-14(11-24)16(28)10-18-25(15,3)9-7-19(29)26(18,4)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,11,15-18,20-23,27-28,30-32H,1,6-10,12-13H2,2-4H3/t15-,16+,17+,18+,20+,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey: InChIKey=YGCDMFKITFIOIB-GHSLUPDCSA-N
Formula: C26H40O8
Molecular Weight: 480.592003
Exact Mass: 480.272318
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Afiyatullov, S., Kalinovsky, A.I., Kuznetsova, T.A., Pivkin, M.V., Prokof'eva, N.G., Dmitrenok, P.S., Elyakov, G.B. J Nat Prod (2004) 67, 1047-51
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) | 36.4 |
| 3 (C) | 213.6 |
| 4 (C) | 52.5 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 31.3 |
| 7 (CH) | 71.8 |
| 8 (C) | 139.6 |
| 9 (CH) | 45.2 |
| 10 (C) | 38.3 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 34.1 |
| 13 (C) | 37.5 |
| 14 (CH) | 132.6 |
| 15 (CH) | 148.3 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 25.7 |
| 18 (CH3) | 21.4 |
| 19 (CH2) | 73.1 |
| 20 (CH3) | 14.8 |
| 1' (CH) | 100.4 |
| 2' (CH) | 72 |
| 3' (CH) | 72.6 |
| 4' (CH) | 66.3 |
| 5' (CH) | 76.6 |
| 6' (CH2) | 63.3 |
