Common Name: xyloccensins Z1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O14/c1-14(34)44-20-10-19-31(6)24(23(38)28(39)42-7)29(4)13-32(31,40)22(26(29)45-15(2)35)27(46-16(3)36)33(19,41)18-11-21(37)47-25(30(18,20)5)17-8-9-43-12-17/h8-9,12,18-20,22-27,38,40-41H,10-11,13H2,1-7H3/t18-,19-,20+,22+,23-,24+,25+,26-,27-,29-,30+,31-,32+,33+/m1/s1
InChIKey: InChIKey=QKTBSFGBXSKROA-VBHJKZIFSA-N
Formula: C33H42O14
Molecular Weight: 662.679465
Exact Mass: 662.257456
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)
Position | PPM |
---|---|
1 (C) | 82.1 |
2 (CH) | 53.7 |
3 (CH) | 78.7 |
4 (C) | 47 |
5 (CH) | 46 |
6 (CH) | 72.1 |
7 (C) | 177.6 |
8 (C) | 75.5 |
9 (CH) | 50.6 |
10 (C) | 47.1 |
11 (CH2) | 30 |
12 (CH) | 72.9 |
13 (C) | 37.1 |
14 (CH) | 47.8 |
15 (CH2) | 29.3 |
16 (C) | 172.3 |
17 (CH) | 78.6 |
18 (CH3) | 19.4 |
19 (CH3) | 24.2 |
20 (C) | 122.5 |
21 (CH) | 142 |
22 (CH) | 110.5 |
23 (CH) | 145.2 |
28 (CH2) | 16.5 |
29 (CH3) | 45.4 |
30 (CH) | 71.7 |
3a (C) | 171.3 |
3b (CH3) | 21.6 |
7a (CH3) | 53 |
12a (C) | 171.6 |
12b (CH3) | 20.9 |
30a (C) | 172.3 |
30b (CH3) | 21.7 |