Spektraris NMR
ent-2-Oxo-15,16-dihydroxypimar-8(14)-ene-16-O-beta-D-glucopyranoside
Common Name: ent-2-Oxo-15,16-dihydroxypimar-8(14)-ene-16-O-beta-D-glucopyranoside
Synonyms: ent-2-Oxo-15,16-dihydroxypimar-8(14)-ene-16-O-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C26H42O8/c1-24(2)10-15(28)11-26(4)16-7-8-25(3,9-14(16)5-6-18(24)26)19(29)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h9,16-23,27,29-32H,5-8,10-13H2,1-4H3/t16-,17-,18-,19?,20-,21+,22-,23-,25+,26+/m1/s1
InChIKey: InChIKey=DIPRMKAQCVMIER-KCYBXONRSA-N
Formula: C26H42O8
Molecular Weight: 482.607884
Exact Mass: 482.287968
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xiang, Y., Zhang, H., Fan, C.Q., Yue, J.M. J Nat Prod (2004) 67, 1517-21
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) | 54.9 |
| 2 (C) | 215.4 |
| 3 (CH2) | 57.5 |
| 4 (C) | 41.1 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 37.1 |
| 8 (C) | 139.7 |
| 9 (CH) | 52.2 |
| 10 (C) | 46 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 33.4 |
| 13 (C) | 38.9 |
| 14 (CH) | 130.9 |
| 15 (CH) | 75.5 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 34.1 |
| 19 (CH3) | 24.2 |
| 20 (CH3) | 16.3 |
| 1' (CH) | 104.5 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.4 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.2 |
