Spektraris NMR
Rubiarbonone E
Common Name: Rubiarbonone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-17(2)19-14-21(33)25-29(7)11-8-18-24(28(29,6)12-13-30(19,25)16-31)20(32)15-22-26(3,4)23(34)9-10-27(18,22)5/h8-10,17,19-22,24-25,31-33H,11-16H2,1-7H3/t19-,20-,21+,22-,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=LKBSFVITHXLCDA-MEKJSECDSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liou, M.J., Wu, T.S. J Nat Prod (2002) 65, 1283-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Arborinanes; 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) | 157.7 |
| 2 (CH) | 125.7 |
| 3 (C) | 206.8 |
| 4 (C) | 45 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 33.1 |
| 7 (CH) | 71.4 |
| 8 (CH) | 49.3 |
| 9 (C) | 143.7 |
| 10 (C) | 43 |
| 11 (CH) | 119.1 |
| 12 (CH2) | 37.8 |
| 13 (C) | 38.7 |
| 14 (C) | 40.9 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 33.6 |
| 17 (C) | 49.6 |
| 18 (CH) | 60.1 |
| 19 (CH) | 71.7 |
| 20 (CH2) | 43 |
| 21 (CH) | 58.6 |
| 22 (CH) | 31.4 |
| 23 (CH3) | 25.3 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 22.6 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 16.8 |
| 28 (CH2) | 63.4 |
| 29 (CH3) | 23.5 |
| 30 (CH3) | 23.7 |
