Spektraris NMR
12R-Hydroxyyardenone
Common Name: 12R-Hydroxyyardenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-18-9-10-22-29(8,15-12-20(32)25(2,3)34-22)30(18)21(33)17-24(36-30)28(7)16-13-23-27(28,6)14-11-19(31)26(4,5)35-23/h18,21-24,33H,9-17H2,1-8H3/t18-,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=LDNVKCINGCLEJO-IBVZXXBGSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Fishback, J.A., Zhou, Y.D., Nagle, D.G. J Nat Prod (2006) 69, 1715-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Yardenanes; 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 |
|---|---|
| 2 (C) | 81.6 |
| 3 (C) | 217.9 |
| 4 (CH2) | 34.8 |
| 5 (CH2) | 31.8 |
| 6 (C) | 45.3 |
| 7 (CH) | 77.5 |
| 8 (CH2) | 30.2 |
| 9 (CH2) | 29.7 |
| 10 (CH) | 32.7 |
| 11 (C) | 92.5 |
| 12 (CH) | 74.4 |
| 13 (CH2) | 39.6 |
| 14 (CH) | 82.8 |
| 15 (C) | 48.2 |
| 16 (CH2) | 26.1 |
| 17 (CH2) | 28.5 |
| 18 (CH) | 81.9 |
| 19 (C) | 48.8 |
| 20 (CH2) | 31.6 |
| 21 (CH2) | 35.5 |
| 22 (C) | 216 |
| 23 (C) | 82.6 |
| 24 (CH3) | 20.2 |
| 25 (CH3) | 26.9 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 21.4 |
| 28 (CH3) | 20.2 |
| 29 (CH3) | 15.8 |
| 30 (CH3) | 22.1 |
| 31 (CH3) | 26.1 |
