Spektraris NMR
19-O-b-D-carboxyglucopyranosyl-12-O-b-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene
Common Name: 19-O-b-D-carboxyglucopyranosyl-12-O-b-D-glucopyranosyl-11,16-dihydroxyabieta-8,11,13-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O15/c1-13(10-33)15-9-14-5-6-18-31(2,19(14)22(38)27(15)46-28-25(41)23(39)20(36)16(11-34)44-28)7-4-8-32(18,3)30(43)47-29-26(42)24(40)21(37)17(12-35)45-29/h9,13,16-18,20-21,23-26,28-29,33-42H,4-8,10-12H2,1-3H3/t13-,16-,17-,18-,20-,21-,23+,24+,25-,26-,28+,29+,31+,32+/m1/s1
InChIKey: InChIKey=KJRLDWGHZUUHJO-BDONCRHMSA-N
Formula: C32H48O15
Molecular Weight: 672.715779
Exact Mass: 672.299321
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) | 37.5 |
| 2 (CH2) | 21.1 |
| 3 (CH2) | 39.1 |
| 4 (C) | 45.8 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 22.6 |
| 7 (CH2) | 35 |
| 8 (C) | 135.8 |
| 9 (C) | 133.7 |
| 10 (C) | 41.5 |
| 11 (C) | 149.6 |
| 12 (C) | 143.5 |
| 13 (C) | 136.8 |
| 14 (CH) | 118.6 |
| 15 (CH) | 35.1 |
| 16 (CH3) | 18.7 |
| 17 (CH2) | 69.4 |
| 18 (CH3) | 29.8 |
| 19 (C) | 178.5 |
| 20 (CH3) | 18.1 |
| 1' (CH) | 108 |
| 2' (CH) | 75.9 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 95.8 |
| 2'' (CH) | 74.5 |
| 3'' (CH) | 78.9 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 62.8 |
