Spektraris NMR
Lemnalosides B
Common Name: Lemnalosides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O7/c1-16(2)8-7-9-18(4)20-12-13-28(6,22-11-10-17(3)14-21(20)22)35-27-25(32)26(33-19(5)30)24(31)23(15-29)34-27/h8,14,18,20-27,29,31-32H,7,9-13,15H2,1-6H3/t18-,20+,21+,22+,23-,24-,25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=XTAQJIXEGQHTGP-ZIRNNRPSSA-N
Formula: C28H46O7
Molecular Weight: 494.661714
Exact Mass: 494.324354
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) | 80.5 |
| 2 (CH2) | 32.9 |
| 3 (CH2) | 18.6 |
| 4 (CH) | 42.4 |
| 5 (CH) | 124.5 |
| 6 (C) | 134.7 |
| 7 (CH2) | 31.3 |
| 8 (CH2) | 21.6 |
| 9 (CH) | 44.8 |
| 10 (CH) | 36.5 |
| 11 (CH) | 31.4 |
| 12 (CH2) | 36.1 |
| 13 (CH2) | 26.5 |
| 14 (CH) | 125.1 |
| 15 (C) | 131.3 |
| 16 (CH3) | 25.9 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 13.5 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 24.5 |
| 1' (CH) | 97.6 |
| 2' (CH) | 69.8 |
| 3' (CH) | 75.3 |
| 4' (CH) | 68.6 |
| 5' (CH) | 74.3 |
| 6' (CH2) | 62.8 |
| 3'a (C) | 170.8 |
| 3'b (CH3) | 21.3 |
