Spektraris NMR
1-Oxoerythrodiol
Common Name: 1-Oxoerythrodiol
Synonyms: 1-Oxoerythrodiol
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)12-14-30(18-31)15-13-27(5)19(20(30)17-25)8-9-22-28(27,6)11-10-21-26(3,4)23(32)16-24(33)29(21,22)7/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=BXVZONSMHFNFBE-GPAJXWGPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kagawa, M., Minami, H., Nakahara, M., Takahashi, H., Takaoka, S., Fukuyama, Y. Phytochemistry (1998) 47, 1337-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 212.4 |
| 2 (CH2) | 44.1 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.3 |
| 5 (CH) | 54 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 32.5 |
| 8 (C) | 42 |
| 9 (CH) | 39.1 |
| 10 (C) | 52.3 |
| 11 (CH2) | 25.3 |
| 12 (CH) | 123 |
| 13 (C) | 143.2 |
| 14 (C) | 39.7 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 22 |
| 17 (C) | 37 |
| 18 (CH) | 42.5 |
| 19 (CH2) | 46.1 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 31 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16 |
| 25 (CH3) | 15 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25.7 |
| 28 (CH2) | 69.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.6 |
