Spektraris NMR
Amoenolide M diacetate
Common Name: Amoenolide M diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O9/c1-20-16-27(42-22(3)35)31-26(32(20,4)15-14-24-17-30(38)39-18-24)11-12-28(36)33(31,5)19-40-29(37)13-8-23-6-9-25(10-7-23)41-21(2)34/h6-7,9-10,17,20,27H,8,11-16,18-19H2,1-5H3/t20-,27-,32+,33-/m0/s1
InChIKey: InChIKey=VSLIBQZNWUVLGN-XOZPCBTFSA-N
Formula: C33H40O9
Molecular Weight: 580.666559
Exact Mass: 580.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pcolinski, M.J., O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 209-16
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 24.58 |
| 2 (CH2) | 36.84 |
| 3 (C) | 211.04 |
| 4 (C) | 51.11 |
| 5 (C) | 132.09 |
| 6 (CH) | 70.46 |
| 7 (CH2) | 33.16 |
| 8 (CH) | 30.94 |
| 9 (C) | 42.04 |
| 10 (C) | 144.09 |
| 11 (CH2) | 34.1 |
| 12 (CH2) | 23.61 |
| 13 (C) | 170.21 |
| 14 (CH) | 115.68 |
| 15 (C) | 173.68 |
| 16 (CH2) | 72.94 |
| 17 (CH3) | 16.07 |
| 18 (CH3) | 22.51 |
| 19 (CH2) | 66.42 |
| 20 (CH3) | 20.68 |
| 6a (C) | 169.71 |
| 6b (CH3) | 21.8 |
| 19a (C) | 172.05 |
| 19b (CH2) | 36.17 |
| 19c (CH2) | 30.36 |
| 19d (C) | 138.19 |
| 19e (CH) | 129.29 |
| 19f (CH) | 121.98 |
| 19g (C) | 149.47 |
| 19h (CH) | 121.98 |
| 19i (CH) | 129.29 |
| 19ga (C) | 169.66 |
| 19gb (CH3) | 21.28 |
