Spektraris NMR
16-Oxo-3α,21β-dihydroxyserrat-14-en-24-al
Common Name: 16-Oxo-3α,21β-dihydroxyserrat-14-en-24-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,17,19,21-25,33-34H,7-14,16H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=AEHNGXKQQZDWGN-ANGLHQKGSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, H., Tan, C.H., Jiang, S.H., Zhu, D.Y. J Nat Prod (2003) 66, 1328-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 33.6 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 68.3 |
| 4 (C) | 53.3 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 45 |
| 8 (C) | 38.9 |
| 9 (CH) | 61.4 |
| 10 (C) | 37.9 |
| 11 (CH2) | 25.2 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 58.9 |
| 14 (C) | 163.4 |
| 15 (CH) | 129.1 |
| 16 (C) | 201.3 |
| 17 (CH) | 59.5 |
| 18 (C) | 44.7 |
| 19 (CH2) | 32 |
| 20 (CH2) | 25.9 |
| 21 (CH) | 75.8 |
| 22 (C) | 37.6 |
| 23 (CH3) | 20.6 |
| 24 (CH) | 205.7 |
| 25 (CH3) | 14.6 |
| 26 (CH3) | 19.8 |
| 27 (CH2) | 55.9 |
| 28 (CH3) | 15.3 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 29 |
