Common Name: Javanicolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,11-14,16-21,27,29-31H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChIKey: InChIKey=HGWAIHIPTWRNHL-QFWHAJIVSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
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)
Position | PPM |
---|---|
1 (CH2) | 41.1 |
2 (CH) | 68.3 |
3 (CH) | 74.8 |
4 (CH) | 34.2 |
5 (CH) | 38.5 |
6 (CH2) | 29.6 |
7 (CH) | 84.4 |
8 (C) | 46.5 |
9 (CH) | 43.7 |
10 (C) | 39 |
11 (CH) | 73.5 |
12 (CH) | 76 |
13 (C) | 82.7 |
14 (CH) | 50.4 |
15 (CH) | 68.3 |
16 (C) | 168.3 |
18 (CH3) | 16.6 |
19 (CH3) | 16 |
20 (CH2) | 74.1 |
21 (C) | 171.5 |
15a (C) | 165.3 |
15b (CH) | 116 |
15c (C) | 158.2 |
15d (CH3) | 27 |
15ca (CH3) | 20.1 |
21a (CH3) | 52.3 |