Spektraris NMR
Propindilactone G
Common Name: Propindilactone G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O10/c1-13-10-15(37-24(13)34)21(31)14(2)20-22(32)23(33)29(36)17-7-6-16-25(3,4)38-18-11-19(30)39-28(16,18)12-27(17,35)9-8-26(20,29)5/h13-18,20-23,31-33,35-36H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18-,20+,21+,22-,23+,26-,27+,28-,29-/m1/s1
InChIKey: InChIKey=VODQWBWAKCQHQJ-NVDAKHEISA-N
Formula: C29H44O10
Molecular Weight: 552.654783
Exact Mass: 552.293448
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lei, C., Huang, S.X., Chen, J.J., Yang, L.B., Xaio, W.L., Chang, Y., Lu, Y., Huang, H., Pu, J.X., Sun, H.D. J Nat Prod (2008) 71, 1228-32
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 (CH) | 82.1 |
| 2 (CH2) | 36.8 |
| 3 (C) | 175.7 |
| 4 (C) | 85.1 |
| 5 (CH) | 59.2 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 25 |
| 8 (CH) | 56.7 |
| 9 (C) | 72.1 |
| 10 (C) | 99.8 |
| 11 (CH2) | 37.9 |
| 12 (CH2) | 40.2 |
| 13 (C) | 46.3 |
| 14 (C) | 87.2 |
| 15 (CH) | 79.7 |
| 16 (CH) | 79.7 |
| 17 (CH) | 60.7 |
| 18 (CH3) | 18.8 |
| 19 (CH2) | 46.9 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 17.4 |
| 22 (CH) | 76.7 |
| 23 (CH) | 78.1 |
| 24 (CH2) | 33.9 |
| 25 (CH) | 34.7 |
| 26 (C) | 181 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 29.8 |
| 29 (CH3) | 23.4 |
