Spektraris NMR
Schindilactone C
Common Name: Schindilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-12-8-15(37-23(12)34)18-13(2)21(32)25(5)6-7-26-11-27-16(24(3,4)39-28(27,35)10-17(31)38-27)9-14(30)19(26)22(33)29(36,40-26)20(18)25/h8,13-16,18-20,30,35-36H,6-7,9-11H2,1-5H3/t13-,14-,15-,16-,18+,19-,20-,25-,26-,27+,28+,29+/m0/s1
InChIKey: InChIKey=XNLOQHVIWBIRIU-GQPXDSFLSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Li, R.T., Liu, J.P., Lu, Y., Chang, Y., Lei, C., Xiao, W.L., Yang, L.B., Zheng, Q.T., Sun, H.D. Org Lett (2007) 9, 2079-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (C) | 109 |
| 2 (CH2) | 43.1 |
| 3 (C) | 173.6 |
| 4 (C) | 84.7 |
| 5 (CH) | 58.1 |
| 6 (CH2) | 36.9 |
| 7 (CH) | 69.9 |
| 8 (CH) | 59.7 |
| 9 (C) | 83.6 |
| 10 (C) | 97.5 |
| 11 (CH2) | 43.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 50.5 |
| 14 (C) | 215.1 |
| 15 (C) | 101.2 |
| 16 (CH) | 53.8 |
| 17 (C) | 221.9 |
| 18 (CH3) | 28 |
| 19 (CH2) | 40.2 |
| 20 (CH) | 46.3 |
| 21 (CH3) | 15.6 |
| 22 (CH) | 46.4 |
| 23 (CH) | 80.2 |
| 24 (CH) | 151.3 |
| 25 (C) | 131.5 |
| 26 (C) | 174.6 |
| 27 (CH3) | 10.8 |
| 28 (CH3) | 30.1 |
| 29 (CH3) | 25.5 |
