Spektraris NMR
Stellettin E
Common Name: Stellettin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-24H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20+/t23-,24-,29-,30-/m0/s1
InChIKey: InChIKey=IIPLLKSCMYHUOP-HJMNRKRYSA-N
Formula: C30H40O4
Molecular Weight: 464.637327
Exact Mass: 464.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Mangalindan, G.C., Concepcion, G.P., Verbitski, S.M., Rabindran, S., Miranda, M., Greenstein, M., Hooper, J.N., Harper, M.K., Ireland, C.M. J Nat Prod (2002) 65, 210-4
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) | 31.3 |
| 2 (CH2) | 33.5 |
| 3 (C) | 219.1 |
| 4 (C) | 46.8 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 37.2 |
| 8 (C) | 44.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 34.8 |
| 11 (CH2) | 36.8 |
| 12 (C) | 206.1 |
| 13 (C) | 146.1 |
| 14 (C) | 142.6 |
| 15 (CH) | 134.9 |
| 16 (CH) | 130.5 |
| 17 (CH) | 136.3 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 23.5 |
| 20 (C) | 137.9 |
| 21 (CH3) | 12.9 |
| 22 (CH) | 144.7 |
| 23 (CH) | 124 |
| 24 (CH) | 140.6 |
| 25 (C) | 126 |
| 26 (C) | 12.6 |
| 27 (CH3) | 29.2 |
| 28 (CH3) | 19.4 |
| 29 (CH3) | 24.7 |
| 30 (CH3) | 172.9 |
