Spektraris NMR
Rubiarbonol E
Common Name: Rubiarbonol E
Synonyms: Rubiarbonol E
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-16(2)18-13-20(32)24-27(18,5)11-12-29(7)23-17(9-10-30(24,29)8)28(6)15-21(33)25(34)26(3,4)22(28)14-19(23)31/h9,16,18-25,31-34H,10-15H2,1-8H3/t18-,19-,20+,21+,22-,23-,24-,25-,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=PGQHNWFAZVHVPQ-KYYVIKLSSA-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) | 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) | 49.2 |
| 9 (C) | 147.2 |
| 10 (C) | 41 |
| 11 (CH) | 117.3 |
| 12 (CH2) | 37.3 |
| 13 (C) | 38.4 |
| 14 (C) | 40 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 37.2 |
| 17 (C) | 43.8 |
| 18 (CH) | 59.3 |
| 19 (CH) | 70.4 |
| 20 (CH2) | 41.9 |
| 21 (CH) | 57.8 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 23.1 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 17 |
| 28 (CH3) | 15.9 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 23.2 |
