(16R)-17,19-Bis(acetyloxy)-16-hydroxyphyllocladan-3-one

(16R)-17,19-Bis(acetyloxy)-16-hydroxyphyllocladan-3-one

Common Name: (16R)-17,19-Bis(acetyloxy)-16-hydroxyphyllocladan-3-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O6/c1-15(25)29-13-22(4)18-7-10-23-11-17(24(28,12-23)14-30-16(2)26)5-6-19(23)21(18,3)9-8-20(22)27/h17-19,28H,5-14H2,1-4H3/t17-,18-,19-,21+,22-,23+,24+/m1/s1

InChIKey: InChIKey=YXNJBOPJNBXMGA-PPRRRLHHSA-N

Formula: C24H36O6

Molecular Weight: 420.539958

Exact Mass: 420.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, G., Muller, R., Ruedi, P. Helv Chim Acta (2003) 86, 420-38

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) 38.3
2 (CH2) 34.4
3 (C) 212.8
4 (C) 51.5
5 (CH) 55.5
6 (CH2) 19.4
7 (CH2) 40.7
8 (C) 43.1
9 (CH) 57.1
10 (C) 36.9
11 (CH2) 20.9
12 (CH2) 26.3
13 (CH) 44.1
14 (CH2) 47.6
15 (CH2) 44.3
16 (C) 82.1
17 (CH2) 67.4
18 (CH3) 20.5
19 (CH2) 65.8
20 (CH3) 14.6
17a (C) 170.95
17b (CH3) 20.6
19a (C) 170.9
19b (CH3) 20.6