Spektraris NMR
Inulanolide A
Common Name: Inulanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30+,33-,34?/m0/s1
InChIKey: InChIKey=FPZMKWNKHQRDMW-BPUCYWMASA-N
Formula: C34H44O9
Molecular Weight: 596.709058
Exact Mass: 596.298533
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) | 64.08 |
| 2 (CH) | 82.86 |
| 3 (CH) | 59.18 |
| 4 (C) | 135.1 |
| 5 (C) | 138.2 |
| 6 (CH2) | 26.75 |
| 7 (CH) | 46.32 |
| 8 (CH) | 84.28 |
| 9 (CH2) | 37.01 |
| 10 (CH) | 31.08 |
| 11 (C) | 141.58 |
| 12 (C) | 172.26 |
| 13 (CH2) | 119.57 |
| 14 (CH3) | 17.26 |
| 15 (CH3) | 14.34 |
| 1' (CH2) | 65.44 |
| 2' (CH2) | 28.17 |
| 3' (CH2) | 33.28 |
| 4' (CH) | 35.33 |
| 5' (C) | 138.08 |
| 6' (CH) | 64.6 |
| 7' (CH) | 52.88 |
| 8' (CH) | 78.43 |
| 9' (CH2) | 34.99 |
| 10' (C) | 131.02 |
| 11' (C) | 56.59 |
| 12' (C) | 181.18 |
| 13' (CH2) | 37.68 |
| 14' (CH3) | 20.55 |
| 15' (CH3) | 19.78 |
| 2a (C) | 172.62 |
| 2b (CH3) | 20.79 |
| 1'a (C) | 172.14 |
| 1'b (CH3) | 21.18 |
