Spektraris NMR
Oligoporin A
Common Name: Oligoporin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O9/c1-19(9-8-10-20(2)31(42)43)21-13-16-35(6)22-11-12-25-33(3,4)26(38)14-15-34(25,5)23(22)17-27(36(21,35)7)45-32-30(41)29(40)28(39)24(18-37)44-32/h10-11,17,19,21,24-25,27-30,32,37,39-41H,8-9,12-16,18H2,1-7H3,(H,42,43)/b20-10-/t19-,21-,24-,25+,27-,28-,29+,30-,32+,34-,35+,36+/m1/s1
InChIKey: InChIKey=PNDYOWJOYGHQBU-ZRWQLAOJSA-N
Formula: C36H54O9
Molecular Weight: 630.809937
Exact Mass: 630.376783
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, I.K., Jang, Y.W., Yu, S.H., Yun, B.S. Bioorg Med Chem Lett (2007) 17, 4906-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 37.7 |
| 2 (CH2) | 35.7 |
| 3 (C) | 218.8 |
| 4 (C) | 48.5 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 121.9 |
| 8 (C) | 143.4 |
| 9 (C) | 146.9 |
| 10 (C) | 38.3 |
| 11 (CH) | 120.5 |
| 12 (CH) | 80.8 |
| 13 (C) | 50 |
| 14 (C) | 52.1 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 12 |
| 19 (CH3) | 21.9 |
| 20 (CH) | 34.5 |
| 21 (CH3) | 22 |
| 22 (CH2) | 35.8 |
| 23 (CH2) | 28.9 |
| 24 (CH) | 144.2 |
| 25 (C) | 128.4 |
| 26 (CH3) | 21.2 |
| 27 (C) | 172 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 25.9 |
| 1' (CH) | 101.6 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.2 |
| 4' (CH) | 72.3 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 63.5 |
