Spektraris NMR
12-Deacetyloxy-23-epi-26-deoxyactein
Common Name: 12-Deacetyloxy-23-epi-26-deoxyactein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h18-28,36-38H,7-17H2,1-6H3/t18-,19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+/m1/s1
InChIKey: InChIKey=WVBIHCZLQLOHQK-PKOIQJTPSA-N
Formula: C35H54O8
Molecular Weight: 602.799797
Exact Mass: 602.381869
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Yang, J.S., Tu, G.Z., Zou, J.H. Chem Pharm Bull (2006) 54, 823-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.1 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.4 |
| 4 (C) | 41.3 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 47.3 |
| 9 (C) | 19.8 |
| 10 (C) | 26.6 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.3 |
| 13 (C) | 46.4 |
| 14 (C) | 44.8 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 74.8 |
| 17 (CH) | 56.7 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 30 |
| 20 (CH) | 23.7 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 37.7 |
| 23 (C) | 106.2 |
| 24 (CH) | 62.5 |
| 25 (C) | 62.1 |
| 26 (CH2) | 68 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 19.7 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
