Spektraris NMR
odoratins B
Common Name: odoratins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O12/c1-14(31)38-13-29-18(26(3,4)41-21(35)10-20(29)34)9-19(33)28(6)22(29)17(39-15(2)32)11-27(5)23(16-7-8-37-12-16)40-25(36)24-30(27,28)42-24/h7-8,12,17-20,22-24,33-34H,9-11,13H2,1-6H3/t17-,18-,19+,20+,22-,23-,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=ZQVBHINGXWHORQ-ARKYAYGNSA-N
Formula: C30H38O12
Molecular Weight: 590.616685
Exact Mass: 590.236327
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kipassa, N.T., Iwagawa, T., Okamura, H., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2008) 69, 1782-7
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) | 79.4 |
| 2 (CH2) | 34.4 |
| 3 (C) | 169.3 |
| 4 (C) | 80.6 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 24 |
| 7 (CH) | 74.2 |
| 8 (C) | 42.7 |
| 9 (CH) | 45.9 |
| 10 (C) | 45.3 |
| 11 (CH) | 68.7 |
| 12 (CH2) | 36.8 |
| 13 (C) | 37.9 |
| 14 (C) | 67.7 |
| 15 (CH) | 55 |
| 16 (C) | 166.4 |
| 17 (CH) | 78 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 67.3 |
| 20 (C) | 120 |
| 21 (CH) | 141.4 |
| 22 (CH) | 109.6 |
| 23 (CH) | 143.5 |
| 28 (CH3) | 30.5 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 20.5 |
| 11a (C) | 168.8 |
| 11b (CH3) | 21.2 |
| 19a (C) | 169.7 |
| 19b (CH3) | 21.1 |
