Spektraris NMR
rubiarbonol F
Common Name: rubiarbonol F
Synonyms: rubiarbonol F
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-25,31-35H,9-15H2,1-7H3/t18-,19-,20+,21+,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=KJXUHHARWYEHNL-ZEUDKGLNSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Itokawa H., Qiao Y., Takeya K. Chem Pharm Bull (1990) 38, 1435
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) | 46 |
| 2 (CH) | 69.2 |
| 3 (CH) | 83.6 |
| 4 (C) | 39.7 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 72.1 |
| 8 (CH) | 49.3 |
| 9 (C) | 147.4 |
| 10 (C) | 41 |
| 11 (CH) | 117.5 |
| 12 (CH2) | 37.7 |
| 13 (C) | 38.5 |
| 14 (C) | 40.3 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 33.4 |
| 17 (C) | 49.1 |
| 18 (CH) | 60.1 |
| 19 (CH) | 70.7 |
| 20 (CH2) | 43.5 |
| 21 (CH) | 58.2 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 23.2 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 16.6 |
| 28 (CH2) | 63 |
| 29 (CH3) | 23.5 |
| 30 (CH3) | 23.6 |
