Common Name: Meliastatin 2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O5/c1-27(2,35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1
InChIKey: InChIKey=KTEXQEFLIOIDKM-GEMWEJHDSA-N
Formula: C31H48O5
Molecular Weight: 500.710994
Exact Mass: 500.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Numata, A., Iwamoto, C., Morito, H., Yamada, T., Goswami, A., Clewlow, P.J., Cragg, G.M., Schmidt, J.M. J Nat Prod (2002) 65, 1886-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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 (CH2) | 38.5 |
2 (CH2) | 34.9 |
3 (C) | 216.7 |
4 (C) | 47.9 |
5 (CH) | 52.4 |
6 (CH2) | 24.4 |
7 (CH) | 118.6 |
8 (C) | 114.6 |
9 (CH) | 47.9 |
10 (C) | 35.1 |
11 (CH2) | 18 |
12 (CH2) | 33.1 |
13 (C) | 45.5 |
14 (C) | 49.9 |
15 (CH2) | 44.5 |
16 (CH) | 76.4 |
17 (CH) | 58.2 |
18 (CH3) | 23.7 |
19 (CH3) | 12.8 |
20 (CH) | 47.9 |
21 (C) | 176.8 |
22 (CH2) | 34 |
23 (CH) | 123 |
24 (CH) | 140.8 |
25 (C) | 70.6 |
26 (CH3) | 29.8 |
27 (CH3) | 29.9 |
28 (CH3) | 24.5 |
29 (CH3) | 21.6 |
30 (CH3) | 27.8 |
21a (CH3) | 51.6 |