Spektraris NMR
Rhabdastrellin A
Common Name: Rhabdastrellin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5/c1-18(22-11-10-20(3)27(34)35-22)8-7-9-19(2)26-21(32)16-24-28(4)15-13-25(33)30(6,17-31)23(28)12-14-29(24,26)5/h7-11,23-25,31,33H,12-17H2,1-6H3/b9-7+,18-8+,26-19-/t23-,24+,25+,28+,29+,30-/m1/s1
InChIKey: InChIKey=ZZGSZXWZQYCHPP-YFMITETISA-N
Formula: C30H40O5
Molecular Weight: 480.636732
Exact Mass: 480.287574
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) | 32.9 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 80.4 |
| 4 (C) | 43.6 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 39.5 |
| 8 (C) | 44.7 |
| 9 (CH) | 49.7 |
| 10 (C) | 35.1 |
| 11 (CH2) | 36.4 |
| 12 (C) | 206.2 |
| 13 (C) | 148.9 |
| 14 (C) | 139.2 |
| 15 (CH) | 137 |
| 16 (CH) | 128.1 |
| 17 (CH) | 130 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 22.4 |
| 20 (C) | 130.4 |
| 21 (CH3) | 12.3 |
| 22 (C) | 158.6 |
| 23 (CH) | 102.5 |
| 24 (CH) | 138.5 |
| 25 (C) | 124.5 |
| 26 (C) | 161.8 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 23.8 |
| 29 (CH2) | 63.9 |
| 30 (CH3) | 25.8 |
