Spektraris NMR
Yardenone A
Common Name: Yardenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-18-9-10-22-28(7,15-12-21(33)25(2,3)34-22)30(18)17-19(31)24(36-30)29(8)16-13-23-27(29,6)14-11-20(32)26(4,5)35-23/h18-19,22-24,31H,9-17H2,1-8H3/t18-,19-,22-,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=TXZQYJVCWLFJOA-ZXIRBURDSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carletti, I., Long, C., Funel, C., Amade, P. J Nat Prod (2003) 66, 25-9
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) | 81.7 |
| 3 (C) | 217.3 |
| 4 (CH2) | 34.8 |
| 5 (CH2) | 32 |
| 6 (C) | 45.4 |
| 7 (CH) | 76.5 |
| 8 (CH2) | 30.1 |
| 9 (CH2) | 28.4 |
| 10 (CH) | 36 |
| 11 (C) | 88.3 |
| 12 (CH2) | 39.6 |
| 13 (CH) | 72.5 |
| 14 (CH) | 88.1 |
| 15 (C) | 48.7 |
| 16 (CH2) | 27.7 |
| 17 (CH2) | 28.5 |
| 18 (CH) | 82.1 |
| 19 (C) | 48.6 |
| 20 (CH2) | 31.5 |
| 21 (CH2) | 35.6 |
| 22 (C) | 216.5 |
| 23 (C) | 82.7 |
| 24 (CH3) | 20.3 |
| 25 (CH3) | 26.9 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 19.6 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 22 |
| 31 (CH3) | 26.2 |
