Javanicolide C

Javanicolide C

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)

Carbon NMR Peaks

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