Spektraris NMR
3a-methoxy-21b-hydroxyserrat-14-en-16-one
Common Name: 3a-methoxy-21b-hydroxyserrat-14-en-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-27(2)22-11-14-29(5)18-19-17-21(32)26-28(3,4)24(33)12-15-30(26,6)20(19)9-10-23(29)31(22,7)16-13-25(27)34-8/h17,20,22-26,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,25+,26-,29-,30+,31-/m0/s1
InChIKey: InChIKey=UGGBNJIWBHUVTN-GNNIZLIUSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., Matsunaga, S. Phytochemistry (1999) 52, 1581-5
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) | 33.4 |
| 2 (CH2) | 20.2 |
| 3 (CH) | 85.7 |
| 4 (C) | 38 |
| 5 (CH) | 50 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 44.7 |
| 8 (C) | 38.2 |
| 9 (CH) | 62.2 |
| 10 (C) | 38 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 25 |
| 13 (CH) | 58.7 |
| 14 (C) | 163.7 |
| 15 (CH) | 128.6 |
| 16 (C) | 201.2 |
| 17 (CH) | 58.8 |
| 18 (C) | 44.3 |
| 19 (CH2) | 31.4 |
| 20 (CH2) | 24.5 |
| 21 (CH) | 76.8 |
| 22 (C) | 36.7 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 22.5 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 20 |
| 27 (CH2) | 55.8 |
| 28 (CH3) | 14.8 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 27.8 |
| 3a (CH3) | 57.1 |
