Spektraris NMR
7-Oxodihydrokarounidiol-3-benzoate
Common Name: 7-Oxodihydrokarounidiol-3-benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H54O5/c1-25(40)43-24-35(4)18-19-36(5)20-21-39(8)32-27(14-17-38(39,7)30(36)23-35)37(6)16-15-31(34(2,3)29(37)22-28(32)41)44-33(42)26-12-10-9-11-13-26/h9-13,29-31H,14-24H2,1-8H3/t29-,30+,31+,35+,36+,37+,38-,39+/m0/s1
InChIKey: InChIKey=GIGNGBXOOGROMH-ZIGIKCIUSA-N
Formula: C39H54O5
Molecular Weight: 602.844525
Exact Mass: 602.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kimura, Y., Kasahara, Y., Kumaki, K., Thakur, S., Tamura, T. Phytochemistry (1997) 46, 1261-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) | 29.7 |
| 2 (CH2) | 23 |
| 3 (CH) | 77.7 |
| 4 (C) | 37 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 36.4 |
| 7 (C) | 198.3 |
| 8 (C) | 142.9 |
| 9 (C) | 163.3 |
| 10 (C) | 39.1 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 29.9 |
| 13 (C) | 38.1 |
| 14 (C) | 39.3 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 35.8 |
| 17 (C) | 31.2 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 30.3 |
| 20 (C) | 32 |
| 21 (CH2) | 28.2 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 27 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 21.4 |
| 26 (CH3) | 27 |
| 27 (CH3) | 18 |
| 28 (CH3) | 30.5 |
| 29 (CH2) | 74.7 |
| 30 (CH3) | 26.1 |
| 1' (C) | 165.7 |
| 2' (C) | 130.71 |
| 3' (CH) | 129.5 |
| 4' (CH) | 128.5 |
| 5' (CH) | 133 |
| 6' (CH) | 128.5 |
| 7' (CH) | 129.5 |
| 29a (C) | 171.5 |
| 29b (CH3) | 21 |
