Spektraris NMR
Rubiarbonone F
Common Name: Rubiarbonone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-16(2)18-14-20(32)24-29(7)11-8-17-23(28(29,6)12-13-30(18,24)25(34)35)19(31)15-21-26(3,4)22(33)9-10-27(17,21)5/h8,16,18-21,23-24,31-32H,9-15H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=AFMHRCRCZJKBKZ-LPYXLCIUSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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 (CH2) | 38.2 |
| 2 (CH2) | 35.9 |
| 3 (C) | 218.8 |
| 4 (C) | 48.4 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 72.7 |
| 8 (CH) | 50 |
| 9 (C) | 146.1 |
| 10 (C) | 40.2 |
| 11 (CH) | 119.4 |
| 12 (CH2) | 36.2 |
| 13 (C) | 39.3 |
| 14 (C) | 40.4 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 34.2 |
| 17 (C) | 56.2 |
| 18 (CH) | 60.5 |
| 19 (CH) | 72 |
| 20 (CH2) | 42.8 |
| 21 (CH) | 57.5 |
| 22 (CH) | 32.7 |
| 23 (CH3) | 25.5 |
| 24 (CH3) | 22.5 |
| 25 (CH3) | 21.3 |
| 26 (CH3) | 17 |
| 27 (CH3) | 15.8 |
| 28 (C) | 179.1 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 23.2 |
