Spektraris NMR
Javanicolide D
Common Name: Javanicolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O12/c1-11-7-14(29)21(32)26(5)13(11)9-15-27-10-38-28(24(35)37-6,22(33)17(31)19(26)27)20(27)18(23(34)39-15)40-16(30)8-12(2)25(3,4)36/h7-8,13-15,17-22,29,31-33,36H,9-10H2,1-6H3/b12-8+/t13-,14-,15+,17+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
InChIKey: InChIKey=BYOUNBVBMRXOLD-PVSFWKLVSA-N
Formula: C28H38O12
Molecular Weight: 566.595213
Exact Mass: 566.236327
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, I.H., Takashima, S., Hitotsuyanagi, Y., Hasuda, T., Takeya, K. J Nat Prod (2004) 67, 863-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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) | 82.3 |
| 2 (CH) | 73.2 |
| 3 (CH) | 126.5 |
| 4 (C) | 134.3 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 84.3 |
| 8 (C) | 46.7 |
| 9 (CH) | 43.2 |
| 10 (C) | 44.6 |
| 11 (CH) | 75.9 |
| 12 (CH) | 75.7 |
| 13 (C) | 82.5 |
| 14 (CH) | 50.9 |
| 15 (CH) | 68.4 |
| 16 (C) | 168.4 |
| 18 (CH3) | 21 |
| 19 (CH3) | 12.3 |
| 20 (CH2) | 74.1 |
| 21 (C) | 171.4 |
| 15a (C) | 166.6 |
| 15b (CH) | 112.9 |
| 15c (C) | 168.1 |
| 15d (C) | 73.1 |
| 15e (CH3) | 15.5 |
| 15ca (CH3) | 28.9 |
| 15da (CH3) | 28.8 |
| 21a (CH3) | 52.3 |
