Spektraris NMR
3-epi-29-Acetoxystelliferin E
Common Name: 3-epi-29-Acetoxystelliferin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3/b13-11+,23-12+,33-24+/t29-,30+,31-,32+,34-,35-,36+/m0/s1
InChIKey: InChIKey=BKYTUKQTWNSKPW-PSUFSJHHSA-N
Formula: C36H52O7
Molecular Weight: 596.795246
Exact Mass: 596.371304
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) | 29.3 |
| 2 (CH2) | 24.5 |
| 3 (CH) | 73.7 |
| 4 (C) | 41.5 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 19 |
| 7 (CH2) | 38.9 |
| 8 (C) | 44.7 |
| 9 (CH) | 50.4 |
| 10 (C) | 35.5 |
| 11 (CH2) | 36.8 |
| 12 (C) | 206.4 |
| 13 (C) | 146.3 |
| 14 (C) | 142.6 |
| 15 (CH) | 132.9 |
| 16 (CH) | 127.9 |
| 17 (CH) | 130.1 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 22.5 |
| 20 (C) | 139.2 |
| 21 (CH3) | 13.7 |
| 22 (CH) | 78.6 |
| 23 (CH2) | 32 |
| 24 (CH) | 118.9 |
| 25 (C) | 134.8 |
| 26 (CH3) | 26 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 22.4 |
| 29 (CH2) | 67.3 |
| 30 (CH3) | 24.5 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.5 |
| 22a (C) | 170.4 |
| 22b (CH3) | 21.4 |
| 29a (C) | 171.5 |
| 29b (CH3) | 21.1 |
