Spektraris NMR
3b-Methoxy-21a-acetoxyserrat-14-en-30-al
Common Name: 3b-Methoxy-21a-acetoxyserrat-14-en-30-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O4/c1-21(35)37-28-15-17-31(5)23-10-12-25-30(4,19-22(23)9-11-26(31)33(28,7)20-34)16-13-24-29(2,3)27(36-8)14-18-32(24,25)6/h9,20,23-28H,10-19H2,1-8H3/t23-,24-,25-,26+,27-,28-,30-,31+,32-,33+/m0/s1
InChIKey: InChIKey=UNQSEULMISZTOV-QNUOLQLWSA-N
Formula: C33H52O4
Molecular Weight: 512.764824
Exact Mass: 512.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang J.M., Tasai W.Y., Cheng Y.S. Phytochemistry (1991) 30, 1333
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) | 38.5 |
| 2 (CH2) | 22.4 |
| 3 (CH) | 88.4 |
| 4 (C) | 38.2 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 45.1 |
| 8 (C) | 38.9 |
| 9 (CH) | 56.3 |
| 10 (C) | 36.1 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 62.8 |
| 14 (C) | 138.1 |
| 15 (CH) | 121.3 |
| 16 (CH2) | 24.4 |
| 17 (CH) | 52 |
| 18 (C) | 37.1 |
| 19 (CH2) | 36 |
| 20 (CH2) | 24.2 |
| 21 (CH) | 78.9 |
| 22 (C) | 52.5 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 19.8 |
| 27 (CH2) | 55.9 |
| 28 (CH3) | 14.5 |
| 29 (CH) | 204.6 |
| 30 (CH3) | 21.1 |
| 3a (CH3) | 57.5 |
| 21a (C) | 20.2 |
| 21b (CH3) | 170.5 |
