Spektraris NMR
Officinoside D
Common Name: Officinoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H46O11/c1-11-5-6-13-16(11)17-14(7-8-27(13,4)38-25-23(34)20(31)18(29)12(2)36-25)26(17,3)10-35-24-22(33)21(32)19(30)15(9-28)37-24/h11-25,28-34H,5-10H2,1-4H3/t11-,12-,13+,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey: InChIKey=QMZPCWAILBCLFF-CBSVVCQLSA-N
Formula: C27H46O11
Molecular Weight: 546.648598
Exact Mass: 546.304012
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Marukami, T., Kishi, A., Yoshikawa, M. Chem Pharm Bull (2001) 49, 974-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (CH) | 55 |
| 2 (CH2) | 25.8 |
| 3 (CH2) | 29.3 |
| 4 (CH) | 38.7 |
| 5 (CH) | 38.7 |
| 6 (CH) | 18.7 |
| 7 (CH) | 26.8 |
| 8 (CH2) | 19.2 |
| 9 (CH2) | 37.1 |
| 10 (C) | 81.2 |
| 11 (C) | 23.4 |
| 12 (CH3) | 12.6 |
| 13 (CH2) | 79.4 |
| 14 (CH3) | 27.6 |
| 15 (CH3) | 16.6 |
| 1' (CH) | 98.1 |
| 2' (CH) | 72.5 |
| 3' (CH) | 75.2 |
| 4' (CH) | 72.8 |
| 5' (CH) | 71 |
| 6' (CH3) | 17.4 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 63 |
