Spektraris NMR
Javanicoside C
Common Name: Javanicoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t15-,16-,19-,20+,21-,22-,23-,24-,25-,26+,28-,30+,31-,32+/m1/s1
InChIKey: InChIKey=ITAQGRSJJGHHKP-ZAJWGGORSA-N
Formula: C32H40O16
Molecular Weight: 680.651658
Exact Mass: 680.231635
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) | 128.6 |
| 2 (C) | 148.9 |
| 3 (C) | 180.2 |
| 4 (C) | 131.9 |
| 5 (C) | 155.6 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 84.8 |
| 8 (C) | 46.7 |
| 9 (CH) | 41.5 |
| 10 (C) | 44.3 |
| 11 (CH) | 75.8 |
| 12 (CH) | 76.2 |
| 13 (C) | 83 |
| 14 (CH) | 49.4 |
| 15 (CH) | 68.4 |
| 16 (C) | 167.6 |
| 18 (CH3) | 11.2 |
| 19 (CH3) | 24 |
| 20 (CH2) | 72.9 |
| 21 (C) | 170.9 |
| 1' (CH) | 101.8 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.3 |
| 15a (C) | 165.6 |
| 15b (CH) | 115.9 |
| 15c (C) | 158.6 |
| 15d (CH3) | 27 |
| 15ca (CH3) | 20.1 |
| 21a (CH3) | 52.4 |
