Spektraris NMR
Propindilactone D
Common Name: Propindilactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-11-17-18(35-20(11)31)16-19-24(4,21(32)25(16,5)34)6-7-26-10-27-12(23(2,3)36-13(27)9-15(30)38-27)8-14-28(26,37-14)22(33)29(19,39-17)40-26/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=OMRPCTHHANRHII-LAVQQSBHSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
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) | 80.8 |
| 2 (CH2) | 35.3 |
| 3 (C) | 175.2 |
| 4 (C) | 83.7 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 28.1 |
| 7 (CH) | 64 |
| 8 (C) | 61.3 |
| 9 (C) | 80.2 |
| 10 (C) | 95.7 |
| 11 (CH2) | 35.9 |
| 12 (CH2) | 31.6 |
| 13 (C) | 49.3 |
| 14 (C) | 207.9 |
| 15 (C) | 97.7 |
| 16 (CH) | 45 |
| 17 (C) | 221.6 |
| 18 (CH3) | 28.4 |
| 19 (CH2) | 39.1 |
| 20 (C) | 76.3 |
| 21 (CH3) | 20.8 |
| 22 (CH) | 43.7 |
| 23 (CH) | 74.1 |
| 24 (CH) | 70.7 |
| 25 (CH) | 42.6 |
| 26 (C) | 175.9 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 20.5 |
| 29 (CH3) | 27.6 |
