Spektraris NMR
Toosendanal
Common Name: Toosendanal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O10/c1-13(31)38-20-10-21-30-12-37-26(40-21)28(20,4)18(30)9-19(34)29(5)23-17(33)8-16(15-6-7-36-11-15)27(23,3)25(39-14(2)32)22(35)24(29)30/h6-7,11,16,18-21,23-26,34H,8-10,12H2,1-5H3/t16-,18-,19+,20-,21+,23-,24-,25-,26?,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=BINBBIDTGQIZCH-RXWHNWEMSA-N
Formula: C30H36O10
Molecular Weight: 556.601993
Exact Mass: 556.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tada, K., Takido, M., Kitanaka, S. Phytochemistry (1999) 51, 787-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 70.7 |
| 2 (CH2) | 37.2 |
| 3 (CH) | 74.3 |
| 4 (C) | 40.5 |
| 5 (CH) | 28.8 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 69.4 |
| 8 (C) | 45.1 |
| 9 (CH) | 47.5 |
| 10 (C) | 42.9 |
| 11 (C) | 208.8 |
| 12 (CH) | 79.9 |
| 13 (C) | 47.9 |
| 14 (CH) | 59.3 |
| 15 (C) | 217.3 |
| 16 (CH2) | 44.6 |
| 17 (CH) | 38.4 |
| 18 (CH3) | 21.8 |
| 19 (CH2) | 64.8 |
| 20 (C) | 123.9 |
| 21 (CH) | 141.1 |
| 22 (CH) | 111.3 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 20 |
| 29 (CH) | 96.6 |
| 30 (CH3) | 20.6 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.7 |
| 12a (C) | 170.7 |
| 12b (CH3) | 28.8 |
