Spektraris NMR
Heteroclitalactone A
Common Name: Heteroclitalactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O6/c1-18(2)22-9-11-25-30(7)26(37-21(5)33)16-23(20(4)24-10-8-19(3)28(36)38-24)29(30,6)14-15-32(25)17-31(22,32)13-12-27(34)35/h8,20,22-26H,1,9-17H2,2-7H3,(H,34,35)/t20-,22-,23-,24?,25-,26-,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=XOFMGLIUAQNIAH-WUMNQDKOSA-N
Formula: C32H46O6
Molecular Weight: 526.705253
Exact Mass: 526.329439
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) | 31.11 |
| 2 (CH2) | 26.53 |
| 3 (C) | 179.25 |
| 4 (C) | 148.78 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 25.24 |
| 7 (CH2) | 28.62 |
| 8 (CH) | 48.62 |
| 9 (C) | 20.59 |
| 10 (C) | 27.95 |
| 11 (CH2) | 26.96 |
| 12 (CH2) | 36.52 |
| 13 (C) | 39.92 |
| 14 (C) | 48.75 |
| 15 (CH) | 75.36 |
| 16 (CH2) | 35.96 |
| 17 (CH) | 48.53 |
| 18 (CH3) | 20.41 |
| 19 (CH2) | 30.19 |
| 20 (CH) | 39.09 |
| 21 (CH3) | 11.98 |
| 22 (CH) | 80.3 |
| 23 (CH2) | 23.27 |
| 24 (CH) | 139.19 |
| 25 (C) | 128.42 |
| 26 (C) | 166.39 |
| 27 (CH3) | 16.79 |
| 28 (CH3) | 19.87 |
| 29 (CH2) | 112.01 |
| 30 (CH3) | 17 |
| 15a (C) | 169.73 |
| 15b (CH3) | 21.46 |
