Spektraris NMR
Reniformin
Common Name: Reniformin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6S/c1-26(15-16-29)18-21-6-9-23-24(19-26)27(2,12-10-21)13-14-28(23,3)25(30)34-22-7-4-20(5-8-22)11-17-35(31,32)33/h4-8,23-24,29H,9-19H2,1-3H3,(H,31,32,33)/b21-6+/t23?,24?,26?,27-,28?/m0/s1
InChIKey: InChIKey=AGDJVWIKQKSRIG-DUJBXVDZSA-N
Formula: C28H40O6S1
Molecular Weight: 504.68075
Exact Mass: 504.25456
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Latte, K.P., Kaloga, M., Schafer, A., Kolodziej, H. Phytochemistry (2008) 69, 820-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (C) | 34.05 |
| 2 (CH2) | 48.35 |
| 3 (C) | 136.12 |
| 4 (CH) | 122.42 |
| 5 (CH2) | 25.53 |
| 6 (CH) | 52.8 |
| 7 (CH) | 52.9 |
| 8 (CH2) | 38.22 |
| 9 (C) | 44.66 |
| 10 (CH2) | 39.4 |
| 11 (CH2) | 20.83 |
| 12 (C) | 36.89 |
| 13 (CH3) | 22.8 |
| 14 (CH2) | 44.8 |
| 15 (CH2) | 65.91 |
| 16 (CH3) | 29.77 |
| 17 (C) | 181.53 |
| 18 (CH3) | 14.78 |
| 19 (CH2) | 41.1 |
| 20 (CH2) | 22.8 |
| 1' (C) | 128.33 |
| 2' (CH) | 130.81 |
| 3' (CH) | 116.7 |
| 4' (C) | 157.8 |
| 5' (CH) | 116.7 |
| 6' (CH) | 130.81 |
| 7' (CH2) | 33.8 |
| 8' (CH2) | 42.24 |
