Spektraris NMR
Virescenoside R
Common Name: Virescenoside R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O13/c1-5-30(2)9-8-16-15(10-30)6-7-20-31(16,3)11-17(34)27(41)32(20,4)14-43-29-26(40)24(38)22(36)19(45-29)13-42-28-25(39)23(37)21(35)18(12-33)44-28/h5-6,16-29,33-41H,1,7-14H2,2-4H3/t16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=QLNIKMOZYWMKSZ-UQFPQHCWSA-N
Formula: C32H52O13
Molecular Weight: 644.748732
Exact Mass: 644.340792
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) | 46.5 |
| 2 (CH) | 67.8 |
| 3 (CH) | 83.7 |
| 4 (C) | 43.6 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 122.2 |
| 8 (C) | 135.1 |
| 9 (CH) | 52.4 |
| 10 (C) | 36.1 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 36.2 |
| 13 (C) | 36.9 |
| 14 (CH2) | 46.1 |
| 15 (CH) | 150.5 |
| 16 (CH2) | 109.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 25.7 |
| 19 (CH2) | 70 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 99.2 |
| 2' (CH) | 71.1 |
| 3' (CH) | 72.1 |
| 4' (CH) | 65.1 |
| 5' (CH) | 74.2 |
| 6' (CH2) | 67.6 |
| 1'' (CH) | 100.2 |
| 2'' (CH) | 73.4 |
| 3'' (CH) | 74.8 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 74.3 |
| 6'' (CH2) | 62.5 |
