Spektraris NMR
Heteroclitalactone I
Common Name: Heteroclitalactone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O8/c1-17-8-12-24(39-28(17)36)32(7,37)27-23(34)16-30(5)22-11-10-21-19(9-13-26(35)40-29(21,3)4)14-20(22)15-25(31(27,30)6)38-18(2)33/h8-11,13-14,21,23-25,27,34,37H,12,15-16H2,1-7H3/t21-,23+,24-,25+,27+,30+,31-,32+/m1/s1
InChIKey: InChIKey=UQCRMFTVLSYFLQ-AVMSUIAZSA-N
Formula: C32H40O8
Molecular Weight: 552.656418
Exact Mass: 552.272318
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) | 141.27 |
| 2 (CH) | 119.33 |
| 3 (C) | 166.54 |
| 4 (C) | 78.67 |
| 5 (CH) | 51.34 |
| 6 (CH) | 123.57 |
| 7 (CH) | 124.35 |
| 8 (C) | 148.61 |
| 9 (C) | 131.17 |
| 10 (C) | 127.54 |
| 11 (CH2) | 37.42 |
| 12 (CH) | 74.16 |
| 13 (C) | 49.11 |
| 14 (C) | 48.56 |
| 15 (CH2) | 43.92 |
| 16 (CH) | 74.1 |
| 17 (CH) | 45.3 |
| 18 (CH3) | 19.02 |
| 19 (CH) | 134.57 |
| 20 (C) | 77.21 |
| 21 (CH3) | 21.99 |
| 22 (CH) | 84.27 |
| 23 (CH2) | 25 |
| 24 (CH) | 139.57 |
| 25 (C) | 127.87 |
| 26 (C) | 165.25 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 29.16 |
| 29 (CH3) | 25.12 |
| 30 (CH3) | 27.06 |
| 12a (C) | 169.79 |
| 12b (CH3) | 21.39 |
