Spektraris NMR
Ent-2-oxo-3b,15,16-trihydroxypimar-8(14)-en-3-O-b-glucopyranoside
Common Name: Ent-2-oxo-3b,15,16-trihydroxypimar-8(14)-en-3-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-24(2)17-6-5-13-9-25(3,18(30)12-28)8-7-14(13)26(17,4)10-15(29)22(24)35-23-21(33)20(32)19(31)16(11-27)34-23/h9,14,16-23,27-28,30-33H,5-8,10-12H2,1-4H3/t14-,16-,17-,18?,19-,20+,21-,22?,23+,25+,26+/m1/s1
InChIKey: InChIKey=QPKNHKFLHORCJA-WTFYFMOMSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
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) | 50.9 |
| 2 (C) | 216 |
| 3 (CH) | 93.6 |
| 4 (C) | 44 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 36.9 |
| 8 (C) | 139.4 |
| 9 (CH) | 52.4 |
| 10 (C) | 46.1 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 33.3 |
| 13 (C) | 38.9 |
| 14 (CH) | 130.9 |
| 15 (CH) | 77.8 |
| 16 (CH2) | 64.6 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 16 |
| 1' (CH) | 106.2 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.9 |
