Spektraris NMR
Officinoside C
Common Name: Officinoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H46O11/c1-12-15-10-14(26(3,4)38-25-23(34)20(31)18(29)13(2)35-25)6-8-27(15,5)9-7-16(12)36-24-22(33)21(32)19(30)17(11-28)37-24/h13-25,28-34H,1,6-11H2,2-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1
InChIKey: InChIKey=OFIPMYQXNOJVMT-PXPNAYFHSA-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 : Eudesmanes; 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) | 40.1 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 150.2 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 22.7 |
| 7 (CH) | 48.9 |
| 8 (CH2) | 25.4 |
| 9 (CH2) | 41.3 |
| 10 (C) | 36 |
| 11 (C) | 79.2 |
| 12 (CH3) | 23.8 |
| 13 (CH3) | 25 |
| 14 (CH3) | 16.7 |
| 15 (CH2) | 104.7 |
| 1' (CH) | 103.1 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63 |
| 1'' (CH) | 98.8 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 75.6 |
| 4'' (CH) | 72.8 |
| 5'' (CH) | 70.9 |
| 6'' (CH3) | 17.5 |
