Spektraris NMR
ent-2beta,15,16,19-tetrahydroxypimar-8(14)-ene-19-O-beta-D-glucopyranoside
Common Name: ent-2beta,15,16,19-tetrahydroxypimar-8(14)-ene-19-O-beta-D-glucopyranoside
Synonyms: ent-2beta,15,16,19-tetrahydroxypimar-8(14)-ene-19-O-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C26H44O9/c1-24(19(30)12-28)7-6-16-14(8-24)4-5-18-25(2,9-15(29)10-26(16,18)3)13-34-23-22(33)21(32)20(31)17(11-27)35-23/h8,15-23,27-33H,4-7,9-13H2,1-3H3/t15-,16-,17-,18-,19?,20-,21+,22-,23-,24+,25+,26+/m1/s1
InChIKey: InChIKey=KDFGLKFLGVCSES-VKGWZTTLSA-N
Formula: C26H44O9
Molecular Weight: 500.623171
Exact Mass: 500.298533
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) | 49.3 |
| 2 (CH) | 65.7 |
| 3 (CH2) | 46 |
| 4 (C) | 41.3 |
| 5 (CH) | 57 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 37.9 |
| 8 (C) | 139.6 |
| 9 (CH) | 53 |
| 10 (C) | 41.1 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 33.7 |
| 13 (C) | 39 |
| 14 (CH) | 130.4 |
| 15 (CH) | 77.9 |
| 16 (CH2) | 64.7 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 29 |
| 19 (CH2) | 74.5 |
| 20 (CH3) | 17.9 |
| 1' (CH) | 105.2 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.1 |
