Spektraris NMR
Xylocarpin B
Common Name: Xylocarpin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-16(34)42-27-25-28(43-17(2)35)33(39)20(8-10-29(4)22(33)13-24(38)44-26(29)19-9-11-41-14-19)31(6)21(12-23(37)40-7)30(27,5)15-32(25,31)45-18(3)36/h9,11,14,20-22,25-28,39H,8,10,12-13,15H2,1-7H3/t20-,21+,22-,25+,26+,27-,28-,29-,30+,31-,32+,33-/m1/s1
InChIKey: InChIKey=VGUYBWJXTOTJBG-RSXFGHBSSA-N
Formula: C33H42O12
Molecular Weight: 630.680655
Exact Mass: 630.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Wu, J., Deng, Z., Proksch, P., Lin, W. J Nat Prod (2007) 70, 772-8
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) | 88.5 |
| 2 (CH) | 46.2 |
| 3 (CH) | 75.6 |
| 4 (C) | 45.3 |
| 5 (CH) | 38 |
| 6 (CH2) | 33.6 |
| 7 (C) | 173.4 |
| 8 (C) | 73.7 |
| 9 (CH) | 54.8 |
| 10 (C) | 46.8 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 34.2 |
| 13 (C) | 35.5 |
| 14 (CH) | 50.2 |
| 15 (CH2) | 28.3 |
| 16 (C) | 170.5 |
| 17 (CH) | 77.9 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 23.3 |
| 20 (C) | 121.7 |
| 21 (CH) | 140.2 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 15.3 |
| 29 (CH2) | 39.5 |
| 30 (CH) | 70.5 |
| 1a (C) | 168.6 |
| 1b (CH3) | 21.4 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.3 |
| 7a (CH3) | 51.9 |
| 30a (C) | 170.7 |
| 30b (CH3) | 22.1 |
