Common Name: Isoxuxuarine F a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C58H74O8/c1-32-26-41-49(4,30-38(32)60)19-23-53(8)40-15-14-34-35(51(40,6)20-24-54(41,53)9)28-44(61)58(63)57(34,12)65-39-27-36-45(33(2)46(39)66-58)37(59)29-42-52(36,7)21-25-56(11)43-31-50(5,47(62)64-13)17-16-48(43,3)18-22-55(42,56)10/h14-15,27-29,32,41,43,63H,16-26,30-31H2,1-13H3/t32-,41-,43-,48-,49+,50-,51+,52+,53-,54+,55-,56+,57+,58-/m1/s1
InChIKey: InChIKey=WSDTZULXIHRNHP-XSYFVEIGSA-N
Formula: C58H74O8
Molecular Weight: 899.205537
Exact Mass: 898.538369
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shirota, O., Sekita, S., Satake, M., Morita, H., Takeya, K., Itokawa, H. Chem Pharm Bull (2004) 52, 739-46
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 116 |
2 (C) | 190.4 |
3 (C) | 91.8 |
4 (C) | 79.4 |
5 (C) | 130.9 |
6 (CH) | 126.1 |
7 (CH) | 116.2 |
8 (C) | 160.2 |
9 (C) | 41.5 |
10 (C) | 173.2 |
11 (CH2) | 33.3 |
12 (CH2) | 29.8 |
13 (C) | 39.5 |
14 (C) | 44.2 |
15 (CH2) | 28.3 |
16 (CH2) | 35.5 |
17 (C) | 38.2 |
18 (CH) | 43.4 |
19 (CH2) | 32.2 |
20 (CH) | 41.9 |
21 (C) | 213.6 |
22 (CH2) | 52.5 |
23 (CH3) | 22.1 |
25 (CH3) | 35.7 |
26 (CH3) | 22.3 |
27 (CH3) | 20.1 |
28 (CH3) | 32.5 |
30 (CH3) | 15.1 |
1' (CH) | 110.5 |
2' (C) | 144.4 |
3' (C) | 138.3 |
4' (C) | 129.3 |
5' (C) | 123.3 |
6' (C) | 187.2 |
7' (CH) | 126.3 |
8' (C) | 171 |
9' (C) | 40.1 |
10' (C) | 151.8 |
11' (CH2) | 34.3 |
12' (CH2) | 30 |
13' (C) | 39 |
14' (C) | 44.7 |
15' (CH2) | 28.6 |
16' (CH2) | 36.4 |
17' (C) | 30.5 |
18' (CH) | 44.3 |
19' (CH2) | 31.1 |
20' (C) | 40.6 |
21' (CH2) | 29.7 |
22' (CH2) | 35 |
23' (CH3) | 13.3 |
25' (CH3) | 37.6 |
26' (CH3) | 20.9 |
27' (CH3) | 18.5 |
28' (CH3) | 31.6 |
29' (C) | 179.3 |
30' (CH3) | 32.9 |
29'a (CH3) | 51.6 |