Spektraris NMR
Oligoporin B
Common Name: Oligoporin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O9/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/h10-11,17,19,21,24-30,32,37-41H,8-9,12-16,18H2,1-7H3,(H,42,43)/b20-10-/t19-,21-,24-,25+,26-,27-,28-,29+,30-,32+,34-,35+,36+/m1/s1
InChIKey: InChIKey=HYENOYNGIQMHMH-BGUZYTSYSA-N
Formula: C36H56O9
Molecular Weight: 632.825819
Exact Mass: 632.392433
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) | 30.8 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 76.3 |
| 4 (C) | 38.1 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 122.1 |
| 8 (C) | 142.8 |
| 9 (C) | 148.4 |
| 10 (C) | 38.1 |
| 11 (CH) | 118.7 |
| 12 (CH) | 80.9 |
| 13 (C) | 49.8 |
| 14 (C) | 51.9 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 24.7 |
| 17 (CH) | 51.6 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 22.7 |
| 20 (CH) | 34.2 |
| 21 (CH3) | 22 |
| 22 (CH2) | 35.6 |
| 23 (CH2) | 28.7 |
| 24 (CH) | 144.2 |
| 25 (C) | 128.1 |
| 26 (CH3) | 21.3 |
| 27 (C) | 171.8 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 26 |
| 1' (CH) | 101.4 |
| 2' (CH) | 74.9 |
| 3' (CH) | 77.8 |
| 4' (CH) | 72 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 63.3 |
