Spektraris NMR
Inulanolide D
Common Name: Inulanolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O7/c1-16(8-7-11-33)23-13-22(10-9-17(23)2)32(30(36)37)15-31-18(3)12-26-24(19(4)29(35)39-26)14-25(31)20(5)27(32)28(31)38-21(6)34/h9-10,13,16,18,24,26-28,33H,4,7-8,11-12,14-15H2,1-3,5-6H3,(H,36,37)/t16-,18-,24+,26-,27-,28+,31-,32?/m0/s1
InChIKey: InChIKey=WBVYQPQGSKBHLX-UDRZBJMASA-N
Formula: C32H40O7
Molecular Weight: 536.657013
Exact Mass: 536.277404
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jin, H.Z., Lee, D., Lee, J.H., Lee, K., Hong, Y.S., Choung, D.H., Kim, Y.H., Lee, J.J. Planta Med (2006) 72, 40-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 60.9 |
| 2 (CH) | 82.41 |
| 3 (CH) | 55.15 |
| 4 (C) | 135.41 |
| 5 (C) | 138.69 |
| 6 (CH2) | 25.87 |
| 7 (CH) | 45.65 |
| 8 (CH) | 82.6 |
| 9 (CH2) | 35.81 |
| 10 (CH) | 29.58 |
| 11 (C) | 139.28 |
| 12 (C) | 170.09 |
| 13 (CH2) | 119.15 |
| 14 (CH3) | 16.55 |
| 15 (CH3) | 14.21 |
| 1' (CH2) | 62.64 |
| 2' (CH2) | 30.66 |
| 3' (CH2) | 33.06 |
| 4' (CH) | 34.47 |
| 5' (C) | 145.2 |
| 6' (CH) | 124.64 |
| 7' (C) | 139.43 |
| 8' (CH) | 123.97 |
| 9' (CH) | 129.87 |
| 10' (C) | 133.86 |
| 11' (C) | 60.45 |
| 12' (C) | 177.74 |
| 13' (CH2) | 42.18 |
| 14' (CH3) | 18.93 |
| 15' (CH3) | 22.02 |
| 2a (C) | 171.17 |
| 2b (CH3) | 20.14 |
