(16R)-2α-(3-Methylbutanoyloxy)-3α-acetoxyphyllocladane-16,17-diol

(16R)-2α-(3-Methylbutanoyloxy)-3α-acetoxyphyllocladane-16,17-diol

Common Name: (16R)-2α-(3-Methylbutanoyloxy)-3α-acetoxyphyllocladane-16,17-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44O6/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/h16,18-21,23,28,31H,7-15H2,1-6H3/t18-,19-,20+,21-,23-,25+,26+,27+/m1/s1

InChIKey: InChIKey=WWAVXLSOMDFCQD-WWPFRZAYSA-N

Formula: C27H44O6

Molecular Weight: 464.635692

Exact Mass: 464.313789

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) 37.9
2 (CH) 67.8
3 (CH) 77.1
4 (C) 38.1
5 (CH) 49.8
6 (CH2) 19.4
7 (CH2) 40.9
8 (C) 43.5
9 (CH) 56.2
10 (C) 39
11 (CH2) 19.4
12 (CH2) 26.5
13 (CH) 43.8
14 (CH2) 48.3
15 (CH2) 44.9
16 (C) 84.5
17 (CH2) 65.5
18 (CH3) 27.9
19 (CH3) 21.7
20 (CH3) 15.6
2a (C) 172.4
2b (CH2) 43.3
2c (CH) 25.4
2ca (CH3) 22.4
2cb (CH3) 22.4
3a (C) 170.5
3b (CH3) 21