Spektraris NMR
Renillin C
Common Name: Renillin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-8-9-23(31)36-21-12-10-15(2)14-22-28(33,17(4)26(32)37-22)25(35-19(6)30)24-16(3)11-13-20(27(21,24)7)34-18(5)29/h11,14,17,20-22,24-25,33H,8-10,12-13H2,1-7H3/b15-14-/t17-,20-,21-,22-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=WUAAFCGTSYYMLQ-DXTQMVNDSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barsby, T., Kubanek, J. J Nat Prod (2005) 68, 511-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 43.9 |
| 2 (CH) | 74.5 |
| 3 (CH2) | 31.6 |
| 4 (CH2) | 39.5 |
| 5 (C) | 142.9 |
| 6 (CH) | 119.8 |
| 7 (CH) | 78.8 |
| 8 (C) | 81.2 |
| 9 (CH) | 68 |
| 10 (CH) | 39.5 |
| 11 (C) | 135.2 |
| 12 (CH) | 119.4 |
| 13 (CH2) | 26 |
| 14 (CH) | 73 |
| 15 (CH3) | 14 |
| 16 (CH3) | 27.5 |
| 17 (CH) | 42.8 |
| 18 (CH3) | 6.8 |
| 19 (C) | 176.3 |
| 20 (CH3) | 24 |
| 2a (C) | 172.1 |
| 2b (CH2) | 35.6 |
| 2c (CH2) | 17.7 |
| 2d (CH3) | 13.5 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.3 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.3 |
