Spektraris NMR
Rhabdastrellin E
Common Name: Rhabdastrellin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O4/c1-20(12-10-14-22(3)28(34)35-8)11-9-13-21(2)27-23(32)19-25-30(6)18-16-26(33)29(4,5)24(30)15-17-31(25,27)7/h9-14,24-26,33H,15-19H2,1-8H3/b12-10+,13-9+,20-11+,22-14+,27-21-/t24-,25-,26-,30-,31-/m0/s1
InChIKey: InChIKey=YEBUSFMLGJIWGK-PVOUNATJSA-N
Formula: C31H44O4
Molecular Weight: 480.679826
Exact Mass: 480.32396
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Lv, F., Xu, M., Deng, Z., Voogd, N.J.d., Soest, R.V.M.v., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1738-41
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) | 33.4 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 79 |
| 4 (C) | 39.2 |
| 5 (CH) | 46.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 40 |
| 8 (C) | 45 |
| 9 (CH) | 49.9 |
| 10 (C) | 35.6 |
| 11 (CH2) | 36.6 |
| 12 (C) | 206.1 |
| 13 (C) | 148.1 |
| 14 (C) | 138.3 |
| 15 (CH) | 135.4 |
| 16 (CH) | 131.4 |
| 17 (CH) | 143.4 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 22.2 |
| 20 (C) | 140 |
| 21 (CH3) | 12.8 |
| 22 (CH) | 143.4 |
| 23 (CH) | 125 |
| 24 (CH) | 138.7 |
| 25 (C) | 128.2 |
| 26 (C) | 168.3 |
| 27 (CH3) | 13.1 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 16.1 |
| 30 (CH3) | 26.1 |
| 26a (CH3) | 51.5 |
