Spektraris NMR
Heteroclitalactone F
Common Name: Heteroclitalactone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-19(2)22-9-11-25-29(6)14-12-23(21(4)24-10-8-20(3)27(33)35-24)28(29,5)16-17-31(25)18-30(22,31)15-13-26(32)34-7/h8,21-25H,1,9-18H2,2-7H3/t21-,22-,23-,24?,25-,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=XZCZGKLGPSAZCN-SPAQZKOZSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Liu, J., Han, J., Xu, Z., Liu, R., Liu, P., Ma, X., Guan, S., Guo, D. Planta Med (2006) 72, 450-7
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) | 31.46 |
| 2 (CH2) | 26.82 |
| 3 (C) | 174.34 |
| 4 (C) | 149.34 |
| 5 (CH) | 45.79 |
| 6 (CH2) | 24.99 |
| 7 (CH2) | 28.97 |
| 8 (CH) | 47.6 |
| 9 (C) | 21.18 |
| 10 (C) | 27.64 |
| 11 (CH2) | 26.96 |
| 12 (CH2) | 35.6 |
| 13 (C) | 45.6 |
| 14 (C) | 48.58 |
| 15 (CH2) | 32.87 |
| 16 (CH2) | 29.68 |
| 17 (CH) | 48.08 |
| 18 (CH3) | 19.71 |
| 19 (CH2) | 29.85 |
| 20 (CH) | 39.12 |
| 21 (CH3) | 13.05 |
| 22 (CH) | 80.58 |
| 23 (CH2) | 23.45 |
| 24 (CH) | 139.44 |
| 25 (C) | 128.21 |
| 26 (C) | 166.6 |
| 27 (CH3) | 17 |
| 28 (CH3) | 19.4 |
| 29 (CH2) | 111.6 |
| 30 (CH3) | 17.8 |
| 3a (CH3) | 51.52 |
