Spektraris NMR
Arabidiol
Common Name: Arabidiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=KCSCTOANDBOIGV-PMLUYZPCSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Xiang, T., Shibuya, M., Katsube, Y., Tsutsumi, T., Otsuka, M., Zhang, H., Masuda, K., Ebizuka, Y. Org Lett (2006) 8, 2835-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 38.9 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.9 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 42.7 |
| 8 (C) | 44.1 |
| 9 (CH) | 63.2 |
| 10 (C) | 36.9 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 22.2 |
| 13 (CH) | 59 |
| 14 (C) | 74.5 |
| 15 (CH2) | 44.4 |
| 16 (CH2) | 23.3 |
| 17 (CH) | 125.2 |
| 18 (CH3) | 26.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 135 |
| 21 (CH3) | 16.1 |
| 22 (CH2) | 40.2 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 124.8 |
| 25 (C) | 131.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 15.9 |
