16b-Hydroxy-24-methyl-12,24-dioxoscalaran-25-al

16b-Hydroxy-24-methyl-12,24-dioxoscalaran-25-al

Common Name: 16b-Hydroxy-24-methyl-12,24-dioxoscalaran-25-al

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O4/c1-15(28)22-16(14-27)26(6)20(12-17(22)29)25(5)11-8-18-23(2,3)9-7-10-24(18,4)19(25)13-21(26)30/h14,16-20,22,29H,7-13H2,1-6H3/t16-,17-,18-,19+,20-,22-,24-,25+,26+/m0/s1

InChIKey: InChIKey=ULEBNGZBACBWFB-FPOKLCDASA-N

Formula: C26H40O4

Molecular Weight: 416.594383

Exact Mass: 416.29266

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Chill, L., Rudi, A., Aknin, M., Loya, S., Hizi, A., Kashman, Y. Tetrahedron (2004) 60, 10619-26

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) 39.4
2 (CH2) 18.3
3 (CH2) 42.2
4 (C) 33.4
5 (CH) 56.1
6 (CH2) 18.8
7 (CH2) 41.2
8 (C) 37.7
9 (CH) 60.6
10 (C) 37.7
11 (CH2) 35.1
12 (C) 214
13 (C) 53
14 (CH) 56.6
15 (CH2) 30
16 (CH) 73.6
17 (CH) 53.7
18 (CH) 57.9
19 (CH3) 33.5
20 (CH3) 21.4
21 (CH3) 17
22 (CH3) 15.5
23 (CH3) 16.8
24 (C) 210
25 (CH) 203.9
24a (CH3) 33.8