Spektraris NMR
Stellettin K
Common Name: Stellettin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-22(31)18-24-28(5)17-15-25(32)30(7,27(33)34)23(28)14-16-29(24,26)6/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-8+,13-9+,20-12+,26-21+/t23-,24+,25-,28+,29+,30-/m1/s1
InChIKey: InChIKey=KBUMELUPIHERGI-XMSXVQOCSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
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) | 28.8 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 70.8 |
| 4 (C) | 47.9 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 38.9 |
| 8 (C) | 45 |
| 9 (CH) | 49.7 |
| 10 (C) | 36.2 |
| 11 (CH2) | 37.2 |
| 12 (C) | 206.9 |
| 13 (C) | 145.9 |
| 14 (C) | 143.1 |
| 15 (CH) | 132.4 |
| 16 (CH) | 131.4 |
| 17 (CH) | 131.8 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 19.9 |
| 20 (C) | 139.3 |
| 21 (CH3) | 13.2 |
| 22 (CH) | 135 |
| 23 (CH) | 126.2 |
| 24 (CH) | 126.2 |
| 25 (C) | 137 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 23.8 |
| 29 (C) | 183.3 |
| 30 (CH3) | 24.9 |
