Spektraris NMR
Rhabdastrellin D
Common Name: Rhabdastrellin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-19(9-8-14-27(3,4)35)10-11-21(32)20(2)26-22(33)17-24-28(5)16-13-25(34)30(7,18-31)23(28)12-15-29(24,26)6/h8-11,14,23-25,31,34-35H,12-13,15-18H2,1-7H3/b11-10+,14-8+,19-9+,26-20+/t23-,24+,25+,28+,29+,30-/m1/s1
InChIKey: InChIKey=PLALDLPGLFATBK-MWLRWVFUSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CD3OD
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) | 34.2 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 80.8 |
| 4 (C) | 44.7 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 38 |
| 8 (C) | 44.3 |
| 9 (CH) | 52.5 |
| 10 (C) | 36.7 |
| 11 (CH2) | 35.6 |
| 12 (C) | 206.2 |
| 13 (C) | 148.3 |
| 14 (C) | 144 |
| 15 (C) | 203.8 |
| 16 (CH) | 125.2 |
| 17 (CH) | 150.3 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 22.6 |
| 20 (C) | 134.5 |
| 21 (CH3) | 12.4 |
| 22 (CH) | 141 |
| 23 (CH) | 123.6 |
| 24 (CH) | 148.9 |
| 25 (C) | 71.5 |
| 26 (CH3) | 29.8 |
| 27 (CH3) | 29.8 |
| 28 (CH3) | 24.2 |
| 29 (CH2) | 65.2 |
| 30 (CH3) | 25.2 |
