Spektraris NMR
21a,29-Diacetoxy-3b-methoxyserrat-14-ene
Common Name: 21a,29-Diacetoxy-3b-methoxyserrat-14-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O5/c1-22(36)39-21-35(8)28-12-10-24-20-32(5)17-14-26-31(3,4)29(38-9)15-19-34(26,7)27(32)13-11-25(24)33(28,6)18-16-30(35)40-23(2)37/h10,25-30H,11-21H2,1-9H3/t25-,26-,27-,28+,29-,30-,32-,33+,34-,35+/m0/s1
InChIKey: InChIKey=WKCBAMNJUXYPNI-ZCKLMMSZSA-N
Formula: C35H56O5
Molecular Weight: 556.817463
Exact Mass: 556.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Conner A.H., Nagasampagi B.A., Rowe J.W. Tetrahedron (1984) 40, 4217
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) | 38.6 |
| 2 (CH2) | 22.5 |
| 3 (CH) | 88.6 |
| 4 (C) | 38.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 37 |
| 8 (C) | 41.1 |
| 9 (CH) | 57.1 |
| 10 (C) | 35.9 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 63 |
| 14 (C) | 138.3 |
| 15 (CH) | 121.8 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 50.6 |
| 18 (C) | 56.4 |
| 19 (CH2) | 37.2 |
| 20 (CH2) | 21.8 |
| 21 (CH) | 80.3 |
| 22 (C) | 39 |
| 23 (CH3) | 15.8 |
| 24 (CH3) | 19.9 |
| 25 (CH3) | 28.2 |
| 26 (CH3) | 16.2 |
| 27 (CH2) | 45.3 |
| 28 (CH3) | 13.8 |
| 29 (CH2) | 64 |
| 30 (CH3) | 24.3 |
| 3a (CH3) | 57.7 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.2 |
| 29a (C) | 170.5 |
| 29b (CH3) | 21.1 |
