Spektraris NMR
Rubiarbonone D
Common Name: Rubiarbonone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-22,24-25,31-32H,10-16H2,1-8H3/t19-,20-,21+,22-,24-,25-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=GJCFGYOIXLZELH-LHASHULKSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
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 (CH2) | 37 |
| 2 (CH2) | 34.8 |
| 3 (C) | 216.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 33.7 |
| 7 (CH) | 71.7 |
| 8 (CH) | 48.9 |
| 9 (C) | 144.9 |
| 10 (C) | 39 |
| 11 (CH) | 118.2 |
| 12 (CH2) | 36.9 |
| 13 (C) | 37.6 |
| 14 (C) | 39.4 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 36.4 |
| 17 (C) | 43.8 |
| 18 (CH) | 59.3 |
| 19 (CH) | 71.4 |
| 20 (CH2) | 40.9 |
| 21 (CH) | 57.2 |
| 22 (CH) | 30.3 |
| 23 (CH3) | 25 |
| 24 (CH3) | 22 |
| 25 (CH3) | 21 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 16.7 |
| 28 (CH3) | 15.5 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 22.9 |
