Spektraris NMR
HeteroclitalactoneM
Common Name: HeteroclitalactoneM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O7/c1-18-8-11-23(38-26(18)35)30(7,36)22-12-14-28(5)21-10-9-20-27(3,4)39-25(34)13-15-31(20)17-32(21,31)16-24(29(22,28)6)37-19(2)33/h8,13,15,20-24,36H,9-12,14,16-17H2,1-7H3/t20-,21-,22-,23?,24-,28-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=RXRAZJRTCFIDPT-XMNWJMSNSA-N
Formula: C32H44O7
Molecular Weight: 540.688776
Exact Mass: 540.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Xu, Z., Yang, M., Liu, R., Liu, P., Guo, D. Magn Reson Chem (2007) 45, 522-6
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 (CH) | 149.97 |
| 2 (CH) | 120.64 |
| 3 (C) | 167.27 |
| 4 (C) | 84.49 |
| 5 (CH) | 46.63 |
| 6 (CH2) | 24.97 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 46.09 |
| 9 (C) | 27.03 |
| 10 (C) | 33.13 |
| 11 (CH2) | 37.67 |
| 12 (CH) | 75.26 |
| 13 (C) | 48.58 |
| 14 (C) | 48.87 |
| 15 (CH2) | 35.67 |
| 16 (CH2) | 24.18 |
| 17 (CH) | 42.23 |
| 18 (CH3) | 18.36 |
| 19 (CH2) | 33.06 |
| 20 (C) | 75.01 |
| 21 (CH3) | 19.91 |
| 22 (CH) | 83.13 |
| 23 (CH2) | 20.93 |
| 24 (CH) | 138.55 |
| 25 (C) | 128.55 |
| 26 (C) | 165.34 |
| 27 (CH3) | 16.92 |
| 28 (CH3) | 29.02 |
| 29 (CH3) | 22.25 |
| 30 (CH3) | 20.4 |
| 12a (C) | 169.8 |
| 12b (CH3) | 21.47 |
