Spektraris NMR
Tubiferaoctanolide
Common Name: Tubiferaoctanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-20(2)8-7-9-21(3)23-12-14-28(6)25-11-10-24-22(4)18-32-26(31)13-15-29(24)19-30(25,29)17-16-27(23,28)5/h8,21,23-25H,4,7,9-19H2,1-3,5-6H3/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VXHZFEOUKLCDJD-RISGNIHZSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Krachangchaeng, C., Tuchinda, P., Pohmakotr, M., Jaipetch, T., Yoosook, C., Kasisit, J., Sophasan, S., Sujarit, K., Santisuk, T. Tetrahedron (2004) 60, 1517-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 29.07 |
| 2 (CH2) | 32 |
| 3 (C) | 173.66 |
| 4 (C) | 147.33 |
| 5 (CH) | 38.61 |
| 6 (CH2) | 29.47 |
| 7 (CH2) | 25.3 |
| 8 (CH) | 47.89 |
| 9 (C) | 21 |
| 10 (C) | 27.42 |
| 11 (CH2) | 26.74 |
| 12 (CH2) | 32.94 |
| 13 (C) | 45.11 |
| 14 (C) | 48.87 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 28.05 |
| 17 (CH) | 52.23 |
| 18 (CH3) | 18.13 |
| 19 (CH2) | 30.23 |
| 20 (CH) | 35.86 |
| 21 (CH3) | 18.19 |
| 22 (CH2) | 36.29 |
| 23 (CH2) | 24.92 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.71 |
| 27 (CH3) | 17.62 |
| 28 (CH2) | 116.13 |
| 29 (CH2) | 68.23 |
| 30 (CH3) | 19.35 |
