Spektraris NMR
Haliclotriol A
Common Name: Haliclotriol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H56O6/c1-22(2)9-8-16-38(7)29(40)14-19-36(5)27-12-17-35(4)26(34(27,3)20-15-30(36)44-38)13-18-37(6)28(35)21-24-25(39)11-10-23(31(24)37)32(41)33(42)43/h9-11,26-30,32,39-41H,8,12-21H2,1-7H3,(H,42,43)/t26-,27-,28-,29+,30+,32?,34-,35-,36+,37-,38-/m0/s1
InChIKey: InChIKey=FBLYCCJBRDRNRM-NMZYOYMDSA-N
Formula: C38H56O6
Molecular Weight: 608.849076
Exact Mass: 608.40769
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Crews, P., Harrison, B. Tetrahedron (2000) 56, 9039-46
Species:
Notes: Family : Terpenoids, Type : Merotriterpenoids, Group : Ketides; 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) | 36.6 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 75.9 |
| 4 (C) | 81.2 |
| 5 (CH) | 78.1 |
| 6 (CH2) | 28 |
| 7 (CH2) | 39.8 |
| 8 (C) | 37.9 |
| 9 (CH) | 58.7 |
| 10 (C) | 42.1 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 43.2 |
| 13 (C) | 38.3 |
| 14 (CH) | 62.4 |
| 15 (CH2) | 18.6 |
| 16 (CH2) | 40.3 |
| 17 (C) | 49.8 |
| 18 (CH) | 65.3 |
| 19 (CH2) | 25.3 |
| 23 (CH3) | 19.1 |
| 24 (CH2) | 42.4 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 22.4 |
| 1' (CH2) | 24.1 |
| 2' (CH) | 125.8 |
| 3' (C) | 131.9 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 17.6 |
| 1'' (C) | 129.4 |
| 2'' (C) | 154.4 |
| 3'' (CH) | 114.1 |
| 4'' (CH) | 127.4 |
| 5'' (C) | 126.4 |
| 6'' (C) | 155.1 |
| 7'' (CH) | 69.2 |
| 8'' (C) | 177.1 |
