Spektraris NMR
Schintrilactone A
Common Name: Schintrilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-14(8-16-9-15(2)25(33)35-16)24(32)27(5)12-22(31)36-23-17-6-7-19-26(3,4)37-20-10-21(30)38-29(19,20)13-28(17,34)11-18(23)27/h8-9,14,17-20,23,34H,6-7,10-13H2,1-5H3/b16-8-/t14-,17-,18+,19+,20-,23-,27-,28+,29-/m1/s1
InChIKey: InChIKey=ZXKKDVNFQJKHMG-VHOWZDSMSA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Yang, J., Huang, H., Li, L.M., Xiao, W.L., Li, R.T., Sun, H.D. Org Lett (2007) 9, 4175-8
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) | 81.4 |
| 2 (CH2) | 35.5 |
| 3 (C) | 174.6 |
| 4 (C) | 84.9 |
| 5 (CH) | 61.3 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 24.2 |
| 8 (CH) | 58.1 |
| 9 (C) | 79 |
| 10 (C) | 99.3 |
| 11 (CH2) | 44.5 |
| 12 (CH) | 38.2 |
| 13 (C) | 50.1 |
| 14 (CH) | 83 |
| 15 (C) | 169.7 |
| 16 (CH2) | 34.5 |
| 17 (C) | 211.2 |
| 18 (CH3) | 22 |
| 19 (CH2) | 40.9 |
| 20 (CH) | 39.1 |
| 21 (CH3) | 19.8 |
| 22 (CH) | 114.1 |
| 23 (C) | 148.5 |
| 24 (CH) | 139.2 |
| 25 (C) | 131.1 |
| 26 (C) | 171.1 |
| 27 (CH3) | 10.6 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 22.1 |
