Spektraris NMR
Lushanrubescensin I
Common Name: Lushanrubescensin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)29-12(2)24)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)26/h9,13-18,25-26H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,18-,21+,22+/m1/s1
InChIKey: InChIKey=JWXPOWPHISXIMI-QDLLGXJDSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Li, M.L., Li, S.H., Mou, Y.K., Lin, Z.W., Sun, H.D. Chem Pharm Bull (2003) 51, 790-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trichorabales; 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) | 76.2 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 40.3 |
| 4 (C) | 34.4 |
| 5 (CH) | 61.5 |
| 6 (CH) | 205.1 |
| 7 (C) | 175.4 |
| 8 (C) | 53.3 |
| 9 (CH) | 42.6 |
| 10 (C) | 43.8 |
| 11 (CH) | 65.5 |
| 12 (CH2) | 44.7 |
| 13 (CH) | 36 |
| 14 (CH2) | 30.6 |
| 15 (CH) | 83.5 |
| 16 (C) | 159.7 |
| 17 (CH2) | 109.6 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 24.1 |
| 20 (CH2) | 67.1 |
| 15a (C) | 170.4 |
| 15b (CH3) | 21.4 |
