Common Name: 21-Acetoxydeoxwalarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O6/c1-17(30)34-16-26(3)11-7-12-27(4)20(26)10-13-28(5)21-9-8-19-15-33-25(32)24(19)29(21,6)23(14-22(27)28)35-18(2)31/h8,20-25,32H,7,9-16H2,1-6H3/t20-,21-,22+,23-,24+,25+,26-,27-,28-,29+/m0/s1
InChIKey: InChIKey=MFJSUEVEAFGHEI-WNAHJDPXSA-N
Formula: C29H44O6
Molecular Weight: 488.657164
Exact Mass: 488.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miyamoto, T., Sakamoto, K., Amano, H., Arakawa, Y., Nagarekawa, Y., Komori, T., Higuchi, R., Sasaki, T. Tetrahedron (1999) 55, 9133-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.2 |
2 (CH2) | 17.7 |
3 (CH2) | 35.8 |
4 (C) | 36.9 |
5 (CH) | 50.8 |
6 (CH2) | 18 |
7 (CH2) | 41.1 |
8 (C) | 37.7 |
9 (CH) | 52.7 |
10 (C) | 36.7 |
11 (CH2) | 22.9 |
12 (CH) | 74.8 |
13 (C) | 36.5 |
14 (CH) | 50.2 |
15 (CH2) | 22.7 |
16 (CH) | 115.6 |
17 (C) | 136.6 |
18 (CH) | 53.4 |
19 (CH2) | 73.2 |
20 (CH3) | 17.2 |
21 (CH3) | 15.9 |
22 (CH3) | 16.6 |
23 (CH3) | 14.9 |
24 (CH2) | 68.9 |
25 (CH) | 98.6 |
12a (C) | 170.9 |
12b (CH3) | 21.5 |
19a (C) | 171.4 |
19b (CH3) | 21.1 |