Spektraris NMR
Aristolin
Common Name: Aristolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(18-36,19-39)46-33(40)24-16-27-32(45-20-44-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,39H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37?/m1/s1
InChIKey: InChIKey=KFVNSGSGMMBVOZ-DFCQOFCSSA-N
Formula: C37H43N1O8
Molecular Weight: 629.740663
Exact Mass: 629.298867
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Tsai, Y.L., Damu, A.G., Kuo, P.C., Wu, P.L. J Nat Prod (2002) 65, 1522-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 42 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 38 |
| 8 (C) | 44.5 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.4 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 43.4 |
| 14 (CH2) | 40.3 |
| 15 (CH2) | 50.9 |
| 16 (C) | 98.1 |
| 17 (CH2) | 63.5 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 17.1 |
| 1' (C) | 125 |
| 2' (CH) | 112.2 |
| 3' (C) | 146.3 |
| 4' (C) | 146.8 |
| 5' (CH) | 119.1 |
| 6' (CH) | 130.9 |
| 7' (CH) | 107.9 |
| 8' (C) | 156.9 |
| 9' (CH) | 120.9 |
| 10' (C) | 145.8 |
| 11' (C) | 118.4 |
| 12' (C) | 130.8 |
| 13' (C) | 120.1 |
| 14' (C) | 118.2 |
| 15' (C) | 167.3 |
| 3'a (CH2) | 102.4 |
| 8'a (CH3) | 55.9 |
