Spektraris NMR
Inulanolide C
Common Name: Inulanolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O7/c1-15(8-7-9-33)21-12-24-26(10-16(21)2)39-30(36)32(24)14-31-17(3)11-25-22(18(4)29(35)38-25)13-23(31)19(5)27(32)28(31)37-20(6)34/h12,15,17,22,24-28,33H,2,4,7-11,13-14H2,1,3,5-6H3/t15-,17-,22+,24-,25-,26+,27-,28+,31-,32?/m0/s1
InChIKey: InChIKey=RCFOVLKYWPONLQ-KYFUFTGJSA-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) | 62.24 |
| 2 (CH) | 81.8 |
| 3 (CH) | 55.47 |
| 4 (C) | 133.96 |
| 5 (C) | 136.68 |
| 6 (CH2) | 25.99 |
| 7 (CH) | 45.26 |
| 8 (CH) | 82.41 |
| 9 (CH2) | 35.97 |
| 10 (CH) | 29.71 |
| 11 (C) | 139.36 |
| 12 (C) | 170.05 |
| 13 (CH2) | 119.55 |
| 14 (CH3) | 16.99 |
| 15 (CH3) | 14.21 |
| 1' (CH2) | 62.81 |
| 2' (CH2) | 30.61 |
| 3' (CH2) | 32.84 |
| 4' (CH) | 34.03 |
| 5' (C) | 144.76 |
| 6' (CH) | 117.89 |
| 7' (CH) | 42.95 |
| 8' (CH) | 74.72 |
| 9' (CH2) | 35.41 |
| 10' (C) | 136.15 |
| 11' (C) | 57.06 |
| 12' (C) | 178.74 |
| 13' (CH2) | 36.34 |
| 14' (CH2) | 113.16 |
| 15' (CH3) | 20.9 |
| 2a (C) | 170.05 |
| 2b (CH3) | 21.23 |
