Spektraris NMR
Propindilactone I
Common Name: Propindilactone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O9/c1-14-10-17(36-24(14)33)23(32)15(2)16-11-20(30)29(35)19-7-6-18-25(3,4)37-21-12-22(31)38-28(18,21)13-27(19,34)9-8-26(16,29)5/h14-21,23,30,32,34-35H,6-13H2,1-5H3/t14-,15-,16-,17+,18+,19-,20+,21-,23+,26-,27+,28-,29-/m1/s1
InChIKey: InChIKey=KKOQWYBTYQONHK-ZOZWKJINSA-N
Formula: C29H44O9
Molecular Weight: 536.655379
Exact Mass: 536.298533
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) | 82.2 |
| 2 (CH2) | 37.2 |
| 3 (C) | 175.9 |
| 4 (C) | 85.2 |
| 5 (CH) | 58.8 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 24.5 |
| 8 (CH) | 56.7 |
| 9 (C) | 72.3 |
| 10 (C) | 99.9 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 39 |
| 13 (C) | 46.1 |
| 14 (C) | 87.2 |
| 15 (CH) | 77 |
| 16 (CH2) | 35.8 |
| 17 (CH) | 54.5 |
| 18 (CH3) | 18.6 |
| 19 (CH2) | 47.5 |
| 20 (CH) | 37 |
| 21 (CH3) | 18.9 |
| 22 (CH) | 76.5 |
| 23 (CH) | 78.3 |
| 24 (CH2) | 34 |
| 25 (CH) | 34.7 |
| 26 (C) | 181.1 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 23.7 |
