Spektraris NMR
Propindilactone E
Common Name: Propindilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-15-12-18(35-24(15)32)23(31)16(2)17-8-9-29(34)20-7-6-19-25(3,4)36-21-13-22(30)37-28(19,21)14-27(20,33)11-10-26(17,29)5/h12,16-21,23,31,33-34H,6-11,13-14H2,1-5H3/t16-,17-,18+,19+,20-,21-,23+,26-,27+,28-,29-/m1/s1
InChIKey: InChIKey=USCMKEFHNCTQDS-HYKQSQNWSA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
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) | 36.9 |
| 3 (C) | 175.6 |
| 4 (C) | 85.1 |
| 5 (CH) | 59 |
| 6 (CH2) | 27.9 |
| 7 (CH2) | 25.2 |
| 8 (CH) | 49.8 |
| 9 (C) | 74.8 |
| 10 (C) | 99.7 |
| 11 (CH2) | 38.6 |
| 12 (CH2) | 29.7 |
| 13 (C) | 48 |
| 14 (C) | 86.4 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 16.3 |
| 19 (CH2) | 46.9 |
| 20 (CH) | 42.3 |
| 21 (CH3) | 15.2 |
| 22 (CH) | 73.2 |
| 23 (CH) | 82.3 |
| 24 (CH) | 148.9 |
| 25 (C) | 130.1 |
| 26 (C) | 174.9 |
| 27 (CH3) | 10.6 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 23.5 |
