Spektraris NMR
Euoverrine A
Common Name: Euoverrine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H53NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-16,18-21,24-25,30,33,35-40,58H,17,22-23H2,1-8H3/t24-,25+,30?,33?,35-,36+,37-,38+,39-,40+,45+,46+,47-,48+/m1/s1
InChIKey: InChIKey=KYMHLMVXBIUEHQ-WVOXADJESA-N
Formula: C48H53N1O18
Molecular Weight: 931.932215
Exact Mass: 931.326264
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) | 75.3 |
| 2 (CH) | 70.1 |
| 3 (CH) | 78.3 |
| 4 (C) | 70.6 |
| 5 (C) | 94.2 |
| 6 (CH) | 75 |
| 7 (CH) | 50.3 |
| 8 (CH) | 69.1 |
| 9 (CH) | 71.7 |
| 10 (C) | 53 |
| 11 (C) | 84.1 |
| 12 (CH2) | 71.7 |
| 13 (CH3) | 18.3 |
| 14 (CH2) | 60.4 |
| 15 (CH3) | 23 |
| 2' (C) | 164.6 |
| 3' (C) | 125.4 |
| 4' (CH) | 137.5 |
| 5' (CH) | 121 |
| 6' (CH) | 151.3 |
| 7' (CH) | 36.4 |
| 8' (CH) | 45 |
| 9' (CH3) | 11.8 |
| 10' (CH3) | 9.3 |
| 11' (C) | 174.4 |
| 12' (C) | 168.5 |
| 1a (C) | 165 |
| 1b (C) | 128.5 |
| 1c (CH) | 129.2 |
| 1d (CH) | 130.3 |
| 1e (CH) | 133.4 |
| 1f (CH) | 130.3 |
| 1g (CH) | 129.2 |
| 2a (C) | 168.9 |
| 2b (CH3) | 19.1 |
| 6a (C) | 165.7 |
| 6b (CH) | 129.7 |
| 6c (CH) | 128.8 |
| 6d (CH) | 130.8 |
| 6e (CH) | 133.5 |
| 6f (CH) | 130.8 |
| 6g (CH2) | 129.7 |
| 8a (C) | 169 |
| 8b (CH3) | 19.9 |
| 9a (C) | 170 |
| 9b (CH3) | 20.9 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.5 |
