Spektraris NMR
Yardenone B
Common Name: Yardenone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/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/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=OEBXGHLYXZCVTN-BGQWQKCBSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 76.2 |
| 3 (CH) | 72.1 |
| 4 (CH2) | 30.3 |
| 5 (CH2) | 33.3 |
| 6 (C) | 45.7 |
| 7 (CH) | 80 |
| 8 (CH2) | 29.6 |
| 9 (CH2) | 28.9 |
| 10 (CH) | 35.8 |
| 11 (C) | 90.7 |
| 12 (CH2) | 28.4 |
| 13 (CH2) | 29.2 |
| 14 (CH) | 84.7 |
| 15 (C) | 48.8 |
| 16 (CH2) | 26 |
| 17 (CH2) | 29.2 |
| 18 (CH) | 82 |
| 19 (C) | 48.2 |
| 20 (CH2) | 31.4 |
| 21 (CH2) | 35.6 |
| 22 (C) | 216.5 |
| 23 (C) | 82.7 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 24.3 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 18 |
| 28 (CH3) | 21 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 21.8 |
| 31 (CH3) | 26.2 |
