Spektraris NMR
rostrinucin
Common Name: rostrinucin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-24(2)10-12-29(16-24)13-11-27(6)17(22(29)32)14-18(30)21-26(5)15-19(31)23(33)25(3,4)20(26)8-9-28(21,27)7/h14,18-21,23,30-31,33H,8-13,15-16H2,1-7H3/t18-,19-,20+,21-,23+,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=DVSAEWSTSCPHTG-CWCRSPDGSA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Peng, S.L., Li, R., Bao, T., Liao, X., Ding, L.S. Fitoterapia (2005) 76, 625-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 49.1 |
| 2 (CH) | 69.2 |
| 3 (CH) | 83.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 35 |
| 8 (C) | 42.5 |
| 9 (CH) | 54.8 |
| 10 (C) | 39.5 |
| 11 (CH) | 67.5 |
| 12 (CH) | 134.7 |
| 13 (C) | 142.7 |
| 14 (C) | 45.6 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 36.8 |
| 17 (C) | 56.5 |
| 18 (C) | 206.1 |
| 19 (CH2) | 48.3 |
| 20 (C) | 39.4 |
| 21 (CH2) | 40.1 |
| 22 (CH2) | 35.1 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 24 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 29.4 |
