Spektraris NMR
Lemnalosides C
Common Name: Lemnalosides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O9/c1-15(2)22(37-33)10-8-17(4)19-11-12-28(6,21-9-7-16(3)13-20(19)21)36-27-26(32)25(31)24(30)23(35-27)14-34-18(5)29/h13,17,19-27,30-33H,1,7-12,14H2,2-6H3/t17-,19+,20+,21+,22?,23-,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=HEORXRPTBCZNRT-SMUBYAKGSA-N
Formula: C28H46O9
Molecular Weight: 526.660524
Exact Mass: 526.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yao, G., Vidor, N.B., Foss, A.P., Chang, L.C. J Nat Prod (2007) 70, 901-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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 (C) | 79.4 |
| 2 (CH2) | 33.5 |
| 3 (CH2) | 18.9 |
| 4 (CH) | 43.3 |
| 5 (CH) | 125.5 |
| 6 (C) | 135.1 |
| 7 (CH2) | 32 |
| 8 (CH2) | 22 |
| 9 (CH) | 45.3 |
| 10 (CH) | 37.1 |
| 11 (CH) | 32.3 |
| 12 (CH2) | 32.6 |
| 13 (CH2) | 30 |
| 14 (CH) | 89.4 |
| 15 (C) | 146 |
| 16 (CH2) | 113.6 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 13.8 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 24.5 |
| 1' (CH) | 98.1 |
| 2' (CH) | 72.5 |
| 3' (CH) | 74.8 |
| 4' (CH) | 69.8 |
| 5' (CH) | 73 |
| 6' (CH2) | 64.3 |
| 6'a (C) | 170.9 |
| 6'b (CH3) | 20.9 |
