xyloccensins Z1

xyloccensins Z1

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)

Carbon NMR Peaks

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