21-Acetoxydeoxwalarin

21-Acetoxydeoxwalarin

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)

Carbon NMR Peaks

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