Spektraris NMR
(15S)-12-(beta-D-Glucopyranosyloxy)abieta-8,11,13-triene-3beta,11,16-triol
Common Name: (15S)-12-(beta-D-Glucopyranosyloxy)abieta-8,11,13-triene-3beta,11,16-triol
Synonyms: (15S)-12-(beta-D-Glucopyranosyloxy)abieta-8,11,13-triene-3beta,11,16-triol
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-12(10-27)14-9-13-5-6-16-25(2,3)17(29)7-8-26(16,4)18(13)20(31)23(14)35-24-22(33)21(32)19(30)15(11-28)34-24/h9,12,15-17,19,21-22,24,27-33H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,19-,21+,22-,24+,26+/m1/s1
InChIKey: InChIKey=IACPYMAYLYRWCN-VXAYKVKJSA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, S., Zhu, H., Zhang, S., Zhang, X., Yu, Q., Xuan, L. J Nat Prod (2008) 71, 755-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.2 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 79.9 |
| 4 (C) | 40.8 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 34.3 |
| 8 (C) | 135.4 |
| 9 (C) | 134.8 |
| 10 (C) | 40.8 |
| 11 (C) | 149.4 |
| 12 (C) | 143.4 |
| 13 (C) | 136.7 |
| 14 (CH) | 118.5 |
| 15 (CH) | 35.1 |
| 16 (CH3) | 18.6 |
| 17 (CH2) | 69.4 |
| 18 (CH3) | 29.5 |
| 19 (CH3) | 17 |
| 20 (CH3) | 20.1 |
| 1' (CH) | 108 |
| 2' (CH) | 75.9 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.2 |
