Spektraris NMR
16-O-Acetyldarutoside
Common Name: 16-O-Acetyldarutoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O9/c1-15(30)35-14-20(31)27(4)10-8-17-16(12-27)6-7-19-26(2,3)21(9-11-28(17,19)5)37-25-24(34)23(33)22(32)18(13-29)36-25/h12,17-25,29,31-34H,6-11,13-14H2,1-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,27+,28+/m1/s1
InChIKey: InChIKey=ITRHSIFUIWDEGO-CHUAXZJFSA-N
Formula: C28H46O9
Molecular Weight: 526.660524
Exact Mass: 526.314183
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen, W., Tang, W., Zhang, R., Lou, L., Zhao, W. J Nat Prod (2007) 70, 567-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 38.5 |
| 2 (CH2) | 24.8 |
| 3 (CH) | 86.4 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 37.6 |
| 8 (C) | 140.9 |
| 9 (CH) | 52.4 |
| 10 (C) | 39.4 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 33.6 |
| 13 (C) | 39 |
| 14 (CH) | 129.5 |
| 15 (CH) | 74.6 |
| 16 (CH2) | 67.9 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 15.7 |
| 20 (CH3) | 17.8 |
| 1' (CH) | 102.3 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72.3 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63.4 |
| 16a (C) | 173.5 |
| 16b (CH3) | 21.4 |
