Common Name: Swietephragmin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O13/c1-10-20(4)28(42)47-29-32(7)18-34(43)33(8,23(32)15-25(40)44-9)35-13-12-31(6)24(16-26(41)46-27(31)22-11-14-45-17-22)36(35)30(37(29,34)48-21(5)39)49-38(50-35,51-36)19(2)3/h10-11,14,16-17,19,23,27,29-30,43H,12-13,15,18H2,1-9H3/b20-10+/t23-,27-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38?/m0/s1
InChIKey: InChIKey=HVBVLFPWEDYRDF-LPSKPZMGSA-N
Formula: C38H46O13
Molecular Weight: 710.765503
Exact Mass: 710.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelgaleil, S.A., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2006) 67, 452-8
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) | 84.7 |
2 (C) | 84 |
3 (CH) | 84.8 |
4 (C) | 44.7 |
5 (CH) | 39.6 |
6 (CH2) | 33.7 |
7 (C) | 173.9 |
8 (C) | 83.9 |
9 (C) | 85.7 |
10 (C) | 48.1 |
11 (CH2) | 26.9 |
12 (CH2) | 29.3 |
13 (C) | 37.7 |
14 (C) | 151.8 |
15 (CH) | 123.4 |
16 (C) | 163.6 |
17 (CH) | 79.8 |
18 (CH3) | 19.2 |
19 (CH3) | 15.4 |
20 (C) | 119.9 |
21 (CH) | 142 |
22 (CH) | 110.2 |
23 (CH) | 143.3 |
28 (CH3) | 13.8 |
29 (CH2) | 39 |
30 (CH) | 73.9 |
1' (C) | 122.9 |
2' (CH) | 28.9 |
3' (CH3) | 16.6 |
4' (CH3) | 16.6 |
2a (C) | 170.3 |
2b (CH3) | 21.8 |
3a (C) | 167.9 |
3b (C) | 130.8 |
3c (CH) | 136.1 |
3d (CH3) | 13.5 |
3ba (CH3) | 12.9 |
7a (CH3) | 52.1 |