Spektraris NMR
xyloccensins Z2
Common Name: xyloccensins Z2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O12/c1-14(32)41-24-20-25(42-15(2)33)31(38)17(29(5)22(21(35)26(36)39-6)28(24,4)13-30(20,29)37)7-9-27(3)18(31)11-19(34)43-23(27)16-8-10-40-12-16/h8,10,12,17-18,20-25,35,37-38H,7,9,11,13H2,1-6H3/t17-,18-,20+,21-,22+,23+,24-,25-,27-,28-,29-,30+,31-/m1/s1
InChIKey: InChIKey=CBZCSQUNKXXZJV-FRURKRBCSA-N
Formula: C31H40O12
Molecular Weight: 604.643302
Exact Mass: 604.251977
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhou, Y., Cheng, F., Wu, J., Zou, K. J Nat Prod (2006) 69, 1083-5
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) | 82.4 |
| 2 (CH) | 53.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 47 |
| 5 (CH) | 46.2 |
| 6 (CH) | 72.3 |
| 7 (C) | 177.8 |
| 8 (C) | 76 |
| 9 (CH) | 58 |
| 10 (C) | 47.8 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 36.5 |
| 13 (C) | 37.1 |
| 14 (CH) | 52.6 |
| 15 (CH2) | 29.3 |
| 16 (C) | 173.3 |
| 17 (CH) | 79.5 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 24.6 |
| 20 (C) | 123.2 |
| 21 (CH) | 141.7 |
| 22 (CH) | 110.7 |
| 23 (CH) | 144.7 |
| 28 (CH2) | 16.6 |
| 29 (CH3) | 45.5 |
| 30 (CH) | 72.3 |
| 3a (C) | 171.5 |
| 3b (CH3) | 21.5 |
| 7a (CH3) | 52.9 |
| 30a (C) | 172.4 |
| 30b (CH3) | 21.6 |
