Spektraris NMR
Aristophyllide B
Common Name: Aristophyllide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29-,32+/m1/s1
InChIKey: InChIKey=XXQZGCCUBVSBKJ-XKMOLYPPSA-N
Formula: C32H31N1O8
Molecular Weight: 557.591695
Exact Mass: 557.204967
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Chan, Y.Y., Leu, Y.L., Wu, P.L., Li, C.Y., Mori, Y. J Nat Prod (1999) 62, 348-51
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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 (CH) | 145.6 |
| 2 (CH2) | 111.9 |
| 3 (CH2) | 137.3 |
| 4 (C) | 150.5 |
| 5 (CH) | 43.4 |
| 6 (C) | 133.6 |
| 7 (CH) | 125.7 |
| 8 (CH2) | 22.9 |
| 9 (CH2) | 28 |
| 10 (C) | 38.3 |
| 11 (CH2) | 42.5 |
| 12 (CH) | 71.7 |
| 13 (CH3) | 19.7 |
| 14 (CH3) | 25.4 |
| 15 (CH) | 194.2 |
| 1' (C) | 124 |
| 2' (CH) | 112.8 |
| 3' (C) | 145.9 |
| 4' (C) | 146.4 |
| 4'a (C) | 118.4 |
| 4'b (C) | 130.8 |
| 5' (CH) | 119.1 |
| 6' (CH) | 130.8 |
| 7' (CH) | 107.8 |
| 8' (C) | 156.8 |
| 8'a (C) | 120.2 |
| 9' (CH) | 120.9 |
| 10' (C) | 145.9 |
| 10'a (C) | 118.4 |
| 11' (C) | 166.2 |
| 3'a (CH2) | 102.3 |
| 8'b (CH3) | 55.9 |
