Spektraris NMR
Spirocaracolitone G
Common Name: Spirocaracolitone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H52O10/c1-22-16-31(51-35(46)27-14-12-11-13-15-27)40(9)32(50-26(5)44)20-37(6)21-41(40,52-36(37)47)42(22)23(2)18-39(8)30-17-28(45)33(48-10)24(3)38(30,7)19-29(34(39)42)49-25(4)43/h11-16,23,29-32,34H,17-21H2,1-10H3/t23-,29+,30+,31-,32-,34-,37+,38+,39-,40-,41+,42+/m0/s1
InChIKey: InChIKey=IKJTUCODOYKLLD-CRBJLVLISA-N
Formula: C42H52O10
Molecular Weight: 716.857876
Exact Mass: 716.356048
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asim, M., Hussien, H., Arnason, J.T., Poveda, L., Durst, T. J Nat Prod (2007) 70, 1228-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 37.1 |
| 2 (C) | 193.9 |
| 3 (C) | 147.6 |
| 4 (C) | 155.2 |
| 5 (C) | 44.2 |
| 6 (CH2) | 45.8 |
| 7 (CH) | 66.8 |
| 8 (CH) | 61.6 |
| 9 (C) | 41.8 |
| 10 (CH) | 55.8 |
| 11 (CH2) | 50.3 |
| 12 (CH) | 40.4 |
| 13 (C) | 57.5 |
| 14 (C) | 136.4 |
| 15 (CH) | 125.7 |
| 16 (CH) | 70.4 |
| 17 (C) | 44.6 |
| 18 (C) | 91.2 |
| 19 (CH2) | 42.1 |
| 20 (C) | 39.3 |
| 21 (CH2) | 37.2 |
| 22 (CH) | 72.7 |
| 23 (CH3) | 11.3 |
| 24 (CH3) | 18.5 |
| 25 (CH3) | 19.4 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 24 |
| 28 (CH3) | 20.8 |
| 29 (CH3) | 20.6 |
| 30 (C) | 178.4 |
| 3a (CH3) | 59.6 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21.32 |
| 16a (C) | 165.9 |
| 16b (C) | 129.9 |
| 16c (CH) | 129.3 |
| 16d (CH) | 128.4 |
| 16e (CH) | 133.1 |
| 16f (CH) | 128.4 |
| 16g (CH) | 129.3 |
| 22a (C) | 171.6 |
| 22b (CH3) | 21.39 |
