Spektraris NMR
xylocarpin Y
Common Name: xylocarpin Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O15/c1-14(34)45-22(27(39)43-7)23-28(4)13-31(40)21(25(28)46-15(2)35)26(47-16(3)36)33(42)18-10-20(38)48-24(17-8-9-44-12-17)29(18,5)19(37)11-32(33,41)30(23,31)6/h8-9,12,18-19,21-26,37,40-42H,10-11,13H2,1-7H3/t18-,19+,21-,22-,23+,24+,25-,26-,28+,29+,30-,31+,32+,33-/m1/s1
InChIKey: InChIKey=VBGZOHGNHYQYIF-NVJOGACUSA-N
Formula: C33H42O15
Molecular Weight: 678.67887
Exact Mass: 678.252371
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Ouyang, J., Deng, A., Lin, W. Magn Reson Chem (2008) 46, 894-7
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 (C) | 81.7 |
| 2 (CH) | 51.5 |
| 3 (CH) | 76.9 |
| 4 (C) | 45 |
| 5 (CH) | 45.5 |
| 6 (CH) | 72.2 |
| 7 (C) | 170.9 |
| 8 (C) | 73 |
| 9 (C) | 77.7 |
| 10 (C) | 53.7 |
| 11 (CH2) | 33.7 |
| 12 (CH) | 70.3 |
| 13 (C) | 39.8 |
| 14 (CH) | 41.4 |
| 15 (CH2) | 27.9 |
| 16 (C) | 170 |
| 17 (CH) | 76.6 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 15.2 |
| 20 (C) | 121.4 |
| 21 (CH) | 140.4 |
| 22 (CH) | 109.4 |
| 23 (CH) | 144.1 |
| 28 (CH3) | 15.6 |
| 29 (CH2) | 45 |
| 30 (CH) | 69.7 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.4 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.3 |
| 7a (CH3) | 52.9 |
| 30a (C) | 170.3 |
| 30b (CH3) | 21.1 |
