Spektraris NMR
21alpha-Hydroxyonocerane I-8(26),14-diene-3-one
Common Name: 21alpha-Hydroxyonocerane I-8(26),14-diene-3-one
Synonyms: 21alpha-Hydroxyonocerane I-8(26),14-diene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24,26,32H,1,9,11-18H2,2-8H3/t21-,22-,23-,24-,26-,29+,30+/m0/s1
InChIKey: InChIKey=IEILUDDPLCUZRF-ULJGRHOGSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, T., Ishibashi, M., Fujimoto, H., Okuyama, E., Koyano, T., Kowithayakorn, T., Hayashi, M., Komiyama, K. J Nat Prod (2002) 65, 1709-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Onoceranes; 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) | 37.8 |
| 2 (CH2) | 34.7 |
| 3 (C) | 217.2 |
| 4 (C) | 47.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.4 |
| 9 (CH) | 56.6 |
| 10 (C) | 38.7 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 55.3 |
| 14 (C) | 135.2 |
| 15 (CH) | 122.1 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 49.6 |
| 18 (C) | 36.5 |
| 19 (CH2) | 37.2 |
| 20 (CH2) | 27.4 |
| 21 (CH) | 79.2 |
| 22 (C) | 39.2 |
| 23 (CH3) | 26 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 14.2 |
| 26 (CH2) | 107.6 |
| 27 (CH3) | 22.3 |
| 28 (CH3) | 13.6 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 17.9 |
