Spektraris NMR
Propindilactone J
Common Name: Propindilactone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O9/c1-15-7-8-19(37-26(15)34)16(2)18-11-23-31(39-23)21-10-9-20-27(4,5)38-22-12-25(33)40-30(20,22)14-29(21,35)13-24(28(18,31)6)36-17(3)32/h7,16,18-24,35H,8-14H2,1-6H3/t16-,18-,19-,20+,21-,22-,23+,24-,28+,29+,30-,31+/m1/s1
InChIKey: InChIKey=KZHVPBQMTQUVNA-CGOUQHHFSA-N
Formula: C31H42O9
Molecular Weight: 558.660969
Exact Mass: 558.282883
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 (CH2) | 36.6 |
| 3 (C) | 175.3 |
| 4 (C) | 84.9 |
| 5 (CH) | 59.1 |
| 6 (CH2) | 27 |
| 7 (CH2) | 23.6 |
| 8 (CH) | 44.4 |
| 9 (C) | 74.7 |
| 10 (C) | 99.2 |
| 11 (CH2) | 44.5 |
| 12 (CH) | 75.1 |
| 13 (C) | 46.2 |
| 14 (C) | 73.4 |
| 15 (CH) | 54 |
| 16 (CH2) | 31.4 |
| 17 (CH) | 45.8 |
| 18 (CH3) | 11.3 |
| 19 (CH2) | 46 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 15.1 |
| 22 (CH) | 80 |
| 23 (CH2) | 24.1 |
| 24 (CH) | 140.1 |
| 25 (C) | 127.8 |
| 26 (C) | 166 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 30 |
| 29 (CH3) | 23 |
| 12a (C) | 170 |
| 12b (CH3) | 21.5 |
