Spektraris NMR
11-Oxoerythrodiol
Common Name: 11-Oxoerythrodiol
Synonyms: 11-Oxoerythrodiol
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)17-25)16-21(32)24-27(5)10-9-23(33)26(3,4)22(27)8-11-29(24,28)7/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VQWZLGYZILZLOV-IPUKRSQLSA-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 (CH2) | 39.2 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.8 |
| 4 (C) | 39.2 |
| 5 (CH) | 55 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 32.7 |
| 8 (C) | 45.4 |
| 9 (CH) | 61.8 |
| 10 (C) | 37 |
| 11 (C) | 200.1 |
| 12 (CH) | 128.3 |
| 13 (C) | 169.4 |
| 14 (C) | 43.4 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 21.6 |
| 17 (C) | 37.1 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 44.9 |
| 20 (C) | 31.1 |
| 21 (CH2) | 32.9 |
| 22 (CH2) | 30.1 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 23.4 |
| 28 (CH2) | 69.7 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 23.4 |
