(1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,14R)-7,14-Diacetoxy-4-(butyryloxy)-8,9-dihydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl benzoate

(1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,14R)-7,14-Diacetoxy-4-(butyryloxy)-8,9-dihydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl benzoate

Common Name: (1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,14R)-7,14-Diacetoxy-4-(butyryloxy)-8,9-dihydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1

InChIKey: InChIKey=PGAJUQOMDBGDPH-BYYJYFEHSA-N

Formula: C35H44O11

Molecular Weight: 640.718604

Exact Mass: 640.288362

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmad, V.U., Hussain, J., Hussain, H., Jassbi, A.R., Ullah, F., Lodhi, M.A., Yasin, A., Choudhary, M.I. Chem Pharm Bull (2003) 51, 719-23

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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 (CH) 33.1
3 (CH) 73.1
4 (CH) 54.4
5 (CH) 72.9
6 (C) 45.7
7 (CH) 66.4
8 (CH) 127.3
9 (CH) 137.3
10 (C) 147.3
11 (CH) 40.7
12 (CH) 40.8
13 (C) 77.4
14 (C) 98.4
15 (C) 98.6
16 (CH3) 16.1
17 (CH2) 66.4
18 (CH2) 112.2
19 (CH3) 22.3
20 (CH3) 24.4
3a (C) 171.4
3b (CH2) 36.7
3c (CH2) 18.3
3d (CH3) 13.7
5a (C) 165.1
5b (C) 129.6
5c (CH) 128.3
5d (CH) 133.2
5e (CH) 130.8
5f (CH) 133.2
5g (CH) 128.3
7a (C) 170.2
7b (CH3) 22.1
15a (C) 170.1
15b (CH3) 20.8