Spektraris NMR
3 (E)-Neomanoalide 24,25-diacetate
Common Name: 3 (E)-Neomanoalide 24,25-diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O6/c1-20(12-14-26-21(2)10-8-16-29(26,5)6)9-7-11-24(18-33-22(3)30)13-15-27-25(17-28(32)35-27)19-34-23(4)31/h9,13,17,27H,7-8,10-12,14-16,18-19H2,1-6H3/b20-9+,24-13-/t27-/m1/s1
InChIKey: InChIKey=HUOUTXIIOOBRPE-VWPGDHEVSA-N
Formula: C29H42O6
Molecular Weight: 486.641282
Exact Mass: 486.298139
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Wonganuchitmeta, S.N., Yuenyongsawad, S., Keawpradub, N., Plubrukarn, A. J Nat Prod (2004) 67, 1767-70
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 (C) | 170.6 |
| 2 (CH) | 117.2 |
| 3 (C) | 164.6 |
| 4 (CH) | 80.5 |
| 5 (CH2) | 30.7 |
| 6 (CH) | 121.1 |
| 7 (C) | 139.2 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 28.3 |
| 10 (CH) | 123.2 |
| 11 (C) | 137.2 |
| 12 (CH2) | 40.8 |
| 13 (CH2) | 26.9 |
| 14 (C) | 137.2 |
| 15 (C) | 127.3 |
| 16 (CH2) | 33 |
| 17 (CH2) | 19.9 |
| 18 (CH2) | 40.2 |
| 19 (C) | 35.2 |
| 20 (CH3) | 28.8 |
| 21 (CH3) | 28.8 |
| 22 (CH3) | 20 |
| 23 (CH3) | 16.2 |
| 24 (CH2) | 67.4 |
| 25 (CH2) | 58.9 |
| 24a (C) | 169.8 |
| 24b (CH3) | 19.8 |
| 25a (C) | 169.1 |
| 25b (CH3) | 20.4 |
