Spektraris NMR
7-Oxo-isopimara-8,15-diene-2α,3β,19β-triol
Common Name: 7-Oxo-isopimara-8,15-diene-2α,3β,19β-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-5-18(2)7-6-13-12(9-18)14(22)8-16-19(13,3)10-15(23)17(24)20(16,4)11-21/h5,15-17,21,23-24H,1,6-11H2,2-4H3/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=BTYISKOGKBBMDI-XRNRSJMDSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Afiyatullov, S.S., Kuznetsova, T.A., Isakov, V.V., Pivkin, M.V., Prokof'eva, N.G., Elyakov, G.B. J Nat Prod (2000) 63, 848-50
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) | 42 |
| 2 (CH) | 68.8 |
| 3 (CH) | 84.4 |
| 4 (C) | 42.8 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 34.9 |
| 7 (C) | 198 |
| 8 (C) | 129 |
| 9 (C) | 163.5 |
| 10 (C) | 40.4 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 33.7 |
| 13 (C) | 34.4 |
| 14 (CH2) | 33.6 |
| 15 (CH) | 145.6 |
| 16 (CH2) | 111.6 |
| 17 (CH3) | 27.9 |
| 18 (CH3) | 22.6 |
| 19 (CH2) | 64.9 |
| 20 (CH3) | 19.7 |
