Spektraris NMR
Yardenone
Common Name: Yardenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-19-9-10-22-29(8,16-12-21(32)25(2,3)33-22)30(19)18-14-24(35-30)28(7)17-13-23-27(28,6)15-11-20(31)26(4,5)34-23/h19,22-24H,9-18H2,1-8H3/t19-,22-,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=QITDIIMEVNRCKY-YDAHQQQXSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Stein, Z., Goldberg, I., Yosief, T., Kashman, Y. Tetrahedron Lett (1998) 39, 1445-8
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) | 82.7 |
| 3 (C) | 218 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 32.1 |
| 6 (C) | 45.6 |
| 7 (CH) | 76.9 |
| 8 (CH2) | 28.5 |
| 9 (CH2) | 28.4 |
| 10 (CH) | 35.8 |
| 11 (C) | 90.3 |
| 12 (CH2) | 30.5 |
| 13 (CH2) | 26.2 |
| 14 (CH) | 84.8 |
| 15 (C) | 48.8 |
| 16 (CH2) | 26.3 |
| 17 (CH2) | 28.9 |
| 18 (CH) | 82 |
| 19 (C) | 48.3 |
| 20 (CH2) | 31.5 |
| 21 (CH2) | 35 |
| 22 (C) | 216 |
| 23 (C) | 81.6 |
| 24 (CH3) | 20.3 |
| 25 (CH3) | 27 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 20.9 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 21.9 |
| 31 (CH3) | 26.3 |
