Spektraris NMR
Propindilactone B
Common Name: Propindilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O13/c1-12-16-17(38-18(12)32)28(37)19-22(2,20(33)24(28,4)35)7-8-25-10-26-13(23(3,11-30)39-14(26)9-15(31)40-26)5-6-27(25,36)21(34)29(19,41-16)42-25/h12-14,16-17,19,30,35-37H,5-11H2,1-4H3/t12-,13-,14+,16+,17-,19+,22-,23-,24-,25-,26+,27+,28-,29-/m0/s1
InChIKey: InChIKey=ITOJIQSQGZOFLO-WVSBEZPDSA-N
Formula: C29H36O13
Molecular Weight: 592.589472
Exact Mass: 592.215591
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lei, C., Huang, S.X., Chen, J.J., Pu, J.X., Li, L.M., Xiao, W.L., Liu, J.P., Yang, L.B., Sun, H.D. Helv Chim Acta (2007) 90, 1399-405
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 |
| 2 (CH2) | 35.2 |
| 3 (C) | 175.4 |
| 4 (C) | 87.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 33.1 |
| 8 (C) | 78.2 |
| 9 (C) | 85.4 |
| 10 (C) | 97 |
| 11 (CH2) | 37.2 |
| 12 (CH2) | 33.8 |
| 13 (C) | 49.3 |
| 14 (C) | 213.2 |
| 15 (C) | 98.5 |
| 16 (CH) | 54.5 |
| 17 (C) | 220.8 |
| 18 (CH3) | 31.2 |
| 19 (CH2) | 41.7 |
| 20 (C) | 80.3 |
| 21 (CH3) | 18.7 |
| 22 (C) | 75.7 |
| 23 (CH) | 76.7 |
| 24 (CH) | 75.3 |
| 25 (CH) | 42.5 |
| 26 (C) | 177.6 |
| 27 (CH3) | 8.2 |
| 28 (CH3) | 17.2 |
| 29 (CH2) | 67.5 |
