Spektraris NMR
Lancifodilactone B
Common Name: Lancifodilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-11-16-17-20(25(5,34)22(33)35-17)39-29-18(16)24(4,19(11)31)6-7-26(40-29)10-27-12(8-14-28(26,37-14)21(29)32)23(2,3)36-13(27)9-15(30)38-27/h11-14,16-18,20,34H,6-10H2,1-5H3/t11-,12-,13+,14-,16+,17+,18-,20-,24-,25+,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=TXFGICJZTBPBLR-FJQLQMLWSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R.T., Xiang, W., Li, S.H., Lin, Z.W., Sun, H.D. J Nat Prod (2004) 67, 94-7
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) | 80.7 |
| 2 (CH2) | 35.3 |
| 3 (C) | 175.1 |
| 4 (C) | 83.5 |
| 5 (CH) | 54.2 |
| 6 (CH2) | 28 |
| 7 (CH) | 63.9 |
| 8 (C) | 61.1 |
| 9 (C) | 80.1 |
| 10 (C) | 95.5 |
| 11 (CH2) | 36 |
| 12 (CH2) | 31.7 |
| 13 (C) | 50.7 |
| 14 (C) | 208 |
| 15 (C) | 98.4 |
| 16 (CH) | 46.2 |
| 17 (C) | 220 |
| 18 (CH3) | 26.5 |
| 19 (CH2) | 38.9 |
| 20 (CH) | 44.6 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 40 |
| 23 (CH) | 74.5 |
| 24 (CH) | 72.4 |
| 25 (C) | 77 |
| 26 (C) | 177.6 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 27.5 |
