Spektraris NMR
Euophelline
Common Name: Euophelline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H53NO17/c1-8-31(51)61-35-32-36(62-41(54)28-16-11-9-12-17-28)47-45(7,57)37(63-40(53)25(3)24(2)33-30(20-15-21-48-33)43(56)59-22-44(32,6)65-47)34(52)38(64-42(55)29-18-13-10-14-19-29)46(47,23-58-26(4)49)39(35)60-27(5)50/h9-16,18-21,24-25,28,32,34-39,52,57H,8,17,22-23H2,1-7H3/t24-,25+,28?,32?,34+,35-,36-,37+,38+,39-,44+,45+,46+,47+/m1/s1
InChIKey: InChIKey=VUOJEJMCXNCCIA-HQQAEUKRSA-N
Formula: C47H53N1O17
Molecular Weight: 903.922074
Exact Mass: 903.331349
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jinbo Z., Mingan W., Wenjun W., Zhiqing J., Zhaonong H. Phytochemistry (2002) 61, 699-704
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 75.4 |
| 2 (CH) | 70.1 |
| 3 (CH) | 78.4 |
| 4 (C) | 70.7 |
| 5 (C) | 94.2 |
| 6 (CH) | 75 |
| 7 (CH) | 50.4 |
| 8 (CH) | 68.9 |
| 9 (CH) | 71.9 |
| 10 (C) | 53 |
| 11 (C) | 84.2 |
| 12 (CH2) | 70.2 |
| 13 (CH3) | 18.3 |
| 14 (CH2) | 60.6 |
| 15 (CH3) | 23 |
| 2' (C) | 164.9 |
| 3' (C) | 125.5 |
| 4' (CH) | 137.6 |
| 5' (CH) | 121.1 |
| 6' (CH) | 151.3 |
| 7' (CH) | 36.4 |
| 8' (CH) | 45.1 |
| 9' (CH3) | 11.9 |
| 10' (CH3) | 9.3 |
| 11' (C) | 174.5 |
| 12' (C) | 168.5 |
| 1a (C) | 165 |
| 1b (C) | 128.6 |
| 1c (CH) | 129.8 |
| 1d (CH) | 129.3 |
| 1e (CH) | 133.4 |
| 1f (CH) | 129.3 |
| 1g (CH) | 129.8 |
| 6a (C) | 165.8 |
| 6b (CH) | 128.8 |
| 6c (CH) | 129.4 |
| 6d (CH) | 130.3 |
| 6e (CH) | 133.6 |
| 6f (CH) | 130.3 |
| 6g (CH2) | 129.4 |
| 8a (C) | 173.8 |
| 8b (CH2) | 27.6 |
| 8c (CH3) | 9.2 |
| 9a (C) | 169 |
| 9b (CH3) | 19.9 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.5 |
