(16R)-2α-(3-Methyl-2-butenoyloxy)-3α-Acetoxyphyllocladane-16,17-diol

(16R)-2α-(3-Methyl-2-butenoyloxy)-3α-Acetoxyphyllocladane-16,17-diol

Common Name: (16R)-2α-(3-Methyl-2-butenoyloxy)-3α-Acetoxyphyllocladane-16,17-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H42O6/c1-16(2)11-22(30)33-19-13-25(6)20(24(4,5)23(19)32-17(3)29)9-10-26-12-18(7-8-21(25)26)27(31,14-26)15-28/h11,18-21,23,28,31H,7-10,12-15H2,1-6H3/t18-,19-,20+,21-,23-,25+,26+,27+/m1/s1

InChIKey: InChIKey=NWSFXPDOIRGIEK-WWPFRZAYSA-N

Formula: C27H42O6

Molecular Weight: 462.61981

Exact Mass: 462.298139

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, G., Ruedi, P. Phytochemistry (1996) 41, 1563-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) 37.7
2 (CH) 66.8
3 (CH) 77
4 (C) 37.8
5 (CH) 49.5
6 (CH2) 19.1
7 (CH2) 40.6
8 (C) 43.1
9 (CH) 56
10 (C) 38.7
11 (CH2) 19.1
12 (CH2) 26.2
13 (CH) 43.3
14 (CH2) 48.1
15 (CH2) 44.4
16 (C) 84.2
17 (CH2) 65
18 (CH3) 27.6
19 (CH3) 21.3
20 (CH3) 15.3
2a (C) 165.6
2b (CH) 115.6
2c (C) 156.5
2ca (CH3) 27.1
2cb (CH3) 19.9
3a (C) 170.2
3b (CH3) 20.6