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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H39NO11/c1-16(2)22-10-11-23(41-18(4)34)30-15-40-32(39,29(7,38)26(22)30)31(44-20(6)36)13-17(3)25(42-19(5)35)24(31)27(30)43-28(37)21-9-8-12-33-14-21/h8-12,14,17,22-27,38-39H,1,13,15H2,2-7H3/t17-,22+,23+,24+,25-,26-,27+,29-,30+,31+,32+/m0/s1

InChIKey: InChIKey=JWNQQMAJTFWUKZ-PJWNUARVSA-N

Formula: C32H39N1O11

Molecular Weight: 613.653435

Exact Mass: 613.252311

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) 38.4
2 (CH) 33.3
3 (CH) 71.8
4 (CH) 54.7
5 (CH) 72.1
6 (C) 45.6
7 (CH) 66
8 (CH) 127
9 (CH) 137.3
10 (C) 147.5
11 (CH) 38.4
12 (CH) 40.5
13 (C) 77.3
14 (C) 97.1
15 (C) 98.5
16 (CH3) 16.3
17 (CH2) 65.9
18 (CH2) 110.5
19 (CH3) 22.5
20 (CH3) 22.1
3a (C) 174.3
3b (CH3) 22
5a (C) 165
5b (C) 127.4
5c (CH) 147.8
5d (CH) 150.3
5e (CH) 124.9
5f (CH) 140
7a (C) 170.1
7b (CH3) 21
15a (C) 170.1
15b (CH3) 20.8