Spektraris NMR
Arborinone
Common Name: Arborinone
Synonyms: Arborinone
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-24H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=AVHGSHJBWASVAK-TUGTUXFRSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa T. , Yamamoto K. , Tamura T., Kumura Y., Lida T., Nambara T., Chang F. C. Chem Pharm Bull (1992) 40, 789
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) | 36.6 |
| 2 (CH2) | 34.8 |
| 3 (C) | 217.1 |
| 4 (C) | 47.6 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 26.3 |
| 7 (CH2) | 22.6 |
| 8 (CH) | 41 |
| 9 (C) | 147.4 |
| 10 (C) | 39.3 |
| 11 (CH) | 115.6 |
| 12 (CH2) | 36.1 |
| 13 (C) | 36.7 |
| 14 (C) | 38.2 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 35.8 |
| 17 (C) | 42.8 |
| 18 (CH) | 52 |
| 19 (CH2) | 20.1 |
| 20 (CH2) | 28.2 |
| 21 (CH) | 59.6 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 22 |
| 24 (CH3) | 25.5 |
| 25 (CH3) | 21.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 15.3 |
| 28 (CH3) | 13.9 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 23 |
