Spektraris NMR
Schindilactone G
Common Name: Schindilactone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-11-16-18-17(12(2)21(32)35-18)38-29-19(16)24(5,20(11)31)6-7-25(40-29)10-26-13(8-14-28(25,36-14)22(29)33)23(3,4)39-27(26,34)9-15(30)37-26/h11-14,16-19,34H,6-10H2,1-5H3/t11-,12-,13-,14-,16+,17+,18+,19-,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey: InChIKey=ZUILDFOMXLLFIA-HXKMVYTDSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Han, Q.B., Lei, C., Pu, J.X., Xiao, W.L., Yu, J.L., Yang, L.M., Xu, H.X., Zheng, Y.T., Sun, H.D. Tetrahedron (2008) 64, 4260-7
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) | 108.7 |
| 2 (CH2) | 43.2 |
| 3 (C) | 173.1 |
| 4 (C) | 84.3 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 28 |
| 7 (CH) | 64.2 |
| 8 (C) | 61.2 |
| 9 (C) | 79.9 |
| 10 (C) | 97.1 |
| 11 (CH2) | 36.6 |
| 12 (CH2) | 32 |
| 13 (C) | 50.7 |
| 14 (C) | 208.2 |
| 15 (C) | 98.2 |
| 16 (CH) | 46.5 |
| 17 (C) | 220 |
| 18 (CH3) | 26.6 |
| 19 (CH2) | 37.6 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 14.7 |
| 22 (CH) | 40.3 |
| 23 (CH) | 75.1 |
| 24 (CH) | 68.1 |
| 25 (CH) | 42.5 |
| 26 (C) | 178.1 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 24.9 |
