Spektraris NMR
rubiarbonol A
Common Name: rubiarbonol A
Synonyms: rubiarbonol A
CAS Registry Number:
InChI: InChI=1S/C30H50O4/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/h8,17,19-25,31-34H,9-16H2,1-7H3/t19-,20-,21+,22-,23-,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JTXWJQOIXGIONJ-MXBKMJCMSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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) | 37 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 72.1 |
| 8 (CH) | 49.4 |
| 9 (C) | 147.7 |
| 10 (C) | 39.8 |
| 11 (CH) | 117.3 |
| 12 (CH2) | 37.6 |
| 13 (C) | 38.4 |
| 14 (C) | 40.2 |
| 15 (CH2) | 33 |
| 16 (CH2) | 33.3 |
| 17 (C) | 49 |
| 18 (CH) | 60 |
| 19 (CH) | 70.7 |
| 20 (CH2) | 43.4 |
| 21 (CH) | 58.1 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 22 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 16.7 |
| 28 (CH2) | 62.9 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 23.4 |
