Spektraris NMR
Belizeanolide
Common Name: Belizeanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C81H134O20/c1-45-21-24-65(87)69(91)36-49(5)29-47(3)31-61(84)22-25-72(73-44-76(94)81(16,101-73)75(93)42-54(10)53(9)39-62(85)43-58(14)82)99-77(95)38-50(6)28-46(2)27-48(4)34-67(89)59(15)68(90)35-52(8)33-66(88)56(12)41-63-23-26-71(98-63)57(13)40-60(83)19-17-18-20-64(86)55(11)30-51(7)37-74-78(96)79(97)80(100-74)70(92)32-45/h18,20,22,25,35,45-47,49,56-68,70-76,78-80,82-90,92-94,96-97H,4,6-7,9-11,17,19,21,23-24,26-34,36-44H2,1-3,5,8,12-16H3/b20-18-,25-22+,52-35-/t45?,46?,47?,49?,56?,57?,58?,59-,60?,61?,62?,63-,64?,65?,66?,67-,68-,70+,71+,72?,73-,74-,75?,76+,78+,79+,80-,81-/m1/s1
InChIKey: InChIKey=WDHDGRUZZUODQS-UFHXFOFVSA-N
Formula: C81H134O20
Molecular Weight: 1427.921767
Exact Mass: 1426.946847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Napolitano, J.G., Norte, M., Padron, J.M., Fernandez, J.J., Hernandez Daranas, A. Angew Chem Int Ed Engl (2009) 48, 796-9
Species:
Notes: Family : Polyketides, Type : Macrolides; 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) | 171.1 |
| 2 (CH2) | 41.3 |
| 3 (C) | 141.4 |
| 4 (CH2) | 44.3 |
| 5 (CH) | 28.2 |
| 6 (CH2) | 43.5 |
| 7 (C) | 144.7 |
| 8 (CH2) | 41.2 |
| 9 (CH) | 70.1 |
| 10 (CH) | 42.9 |
| 11 (CH) | 70.9 |
| 12 (CH) | 129 |
| 13 (C) | 135.4 |
| 14 (CH2) | 43.4 |
| 15 (CH) | 71.6 |
| 16 (CH) | 34.6 |
| 17 (CH2) | 39.8 |
| 18 (CH) | 84.4 |
| 19 (CH2) | 127.2 |
| 20 (CH2) | 131.1 |
| 21 (CH) | 89.9 |
| 22 (CH) | 35.3 |
| 23 (CH2) | 40.4 |
| 24 (CH) | 68.8 |
| 25 (CH2) | 36.9 |
| 26 (CH2) | 23.9 |
| 27 (CH) | 131.5 |
| 28 (CH) | 130.9 |
| 29 (CH) | 68.7 |
| 30 (C) | 149.1 |
| 31 (CH2) | 40 |
| 32 (C) | 144.3 |
| 33 (CH2) | 35.1 |
| 34 (CH) | 79.8 |
| 35 (CH) | 72.7 |
| 36 (CH) | 73 |
| 37 (CH) | 83.2 |
| 38 (CH) | 68.8 |
| 39 (CH2) | 41 |
| 40 (CH) | 29.2 |
| 41 (CH2) | 31.3 |
| 42 (CH2) | 30.7 |
| 43 (CH) | 77 |
| 44 (C) | 213.4 |
| 45 (CH2) | 45.5 |
| 46 (CH) | 25.9 |
| 47 (CH2) | 44.8 |
| 48 (CH) | 26.2 |
| 49 (CH2) | 45 |
| 50 (CH) | 68.9 |
| 51 (CH) | 138.5 |
| 52 (CH) | 123.7 |
| 53 (CH) | 77.2 |
| 54 (CH) | 77.6 |
| 55 (CH2) | 36.4 |
| 56 (CH) | 73.3 |
| 57 (C) | 88.4 |
| 58 (CH) | 73.6 |
| 59 (CH2) | 36 |
| 60 (C) | 143.9 |
| 61 (C) | 144.2 |
| 62 (CH2) | 42.9 |
| 63 (CH) | 68.6 |
| 64 (CH2) | 45.1 |
| 65 (CH) | 66.2 |
| 66 (CH3) | 22.3 |
| 67 (CH2) | 114.6 |
| 68 (CH2) | 113.9 |
| 69 (CH3) | 14 |
| 70 (CH3) | 18.5 |
| 71 (CH3) | 18.8 |
| 72 (CH3) | 19.4 |
| 73 (CH2) | 113.1 |
| 74 (CH2) | 110.2 |
| 75 (CH3) | 15.5 |
| 76 (CH3) | 13.1 |
| 77 (CH3) | 16 |
| 78 (CH3) | 7.5 |
| 79 (CH2) | 112.7 |
| 80 (CH3) | 18.8 |
| 81 (CH2) | 114.6 |
