Spektraris NMR
Stellettin J
Common Name: Stellettin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-20(2)10-8-11-21(3)12-9-13-22(4)27-23(32)18-25-28(5)17-15-26(33)30(7,19-31)24(28)14-16-29(25,27)6/h8-13,24-26,31,33H,14-19H2,1-7H3/b11-8+,13-9+,21-12+,27-22+/t24-,25+,26-,28+,29+,30-/m1/s1
InChIKey: InChIKey=MDQDLERKDZJSCM-BYBVMEJRSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Clement, J.A., Li, M., Hecht, S.M., Kingston, D.G. J Nat Prod (2006) 69, 373-6
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) | 29.1 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 71.8 |
| 4 (C) | 43.3 |
| 5 (CH) | 42.4 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 38.8 |
| 8 (C) | 44.8 |
| 9 (CH) | 50.3 |
| 10 (C) | 34.9 |
| 11 (CH2) | 37.1 |
| 12 (C) | 206.7 |
| 13 (C) | 145.8 |
| 14 (C) | 143.1 |
| 15 (CH) | 132.3 |
| 16 (CH) | 131.4 |
| 17 (CH) | 131.7 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 25.3 |
| 20 (C) | 139.3 |
| 21 (CH3) | 13.2 |
| 22 (CH) | 135 |
| 23 (CH) | 126.2 |
| 24 (CH) | 126.2 |
| 25 (C) | 137.1 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 19.9 |
| 29 (CH2) | 68.2 |
| 30 (CH3) | 24.6 |
