Spektraris NMR
26,27-Dinor-8,14-seco-5alpha-gammacerane-3beta,8beta,14alpha,21beta-tetrol
Common Name: 26,27-Dinor-8,14-seco-5alpha-gammacerane-3beta,8beta,14alpha,21beta-tetrol
Synonyms: 26,27-Dinor-8,14-seco-5alpha-gammacerane-3beta,8beta,14alpha,21beta-tetrol
CAS Registry Number:
InChI: InChI=1S/C28H50O4/c1-25(2)21-11-9-19(29)17(27(21,5)15-13-23(25)31)7-8-18-20(30)10-12-22-26(3,4)24(32)14-16-28(18,22)6/h17-24,29-32H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22-,23-,24+,27+,28+/m0/s1
InChIKey: InChIKey=AGTWEFWCYVDEIC-RBLKOLSASA-N
Formula: C28H50O4
Molecular Weight: 450.695263
Exact Mass: 450.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yan, J., Zhang, X.M., Li, Z.R., Zhou, L., Chen, J.C., Sun, L.R., Qiu, M.H. Helv Chim Acta (2005) 88, 240-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oceranes; 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) | 36.9 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.3 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 66.3 |
| 9 (CH) | 54.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 54.9 |
| 14 (CH) | 66.7 |
| 15 (CH2) | 38.3 |
| 16 (CH2) | 17.6 |
| 17 (CH) | 49.7 |
| 18 (C) | 39.8 |
| 19 (CH2) | 33.1 |
| 20 (CH2) | 30.1 |
| 21 (CH) | 75.5 |
| 22 (C) | 38.3 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 23.1 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 29.7 |
