(1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-Diacetoxy-14-(benzoyloxy)-15-hydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-ene-4,8-diyl dinicotinate

(1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-Diacetoxy-14-(benzoyloxy)-15-hydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-ene-4,8-diyl dinicotinate

Common Name: (1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R,15R)-2,7-Diacetoxy-14-(benzoyloxy)-15-hydroxy-11-isopropenyl-5,9-dimethyl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-ene-4,8-diyl dinicotinate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C43H44N2O12/c1-23(2)30-16-17-31(53-36(48)27-12-8-7-9-13-27)43-34(30)41(6,57-40(43)51)39(55-38(50)29-15-11-19-45-22-29)42(56-26(5)47)20-24(3)33(32(42)35(43)52-25(4)46)54-37(49)28-14-10-18-44-21-28/h7-19,21-22,24,30-35,39-40,51H,1,20H2,2-6H3/t24-,30+,31+,32+,33-,34-,35+,39+,40+,41+,42+,43-/m0/s1

InChIKey: InChIKey=LVWVAPVLBVCRDR-LNBXKIBWSA-N

Formula: C43H44N2O12

Molecular Weight: 780.817382

Exact Mass: 780.289425

NMR Solvent: D2O

MHz:

Calibration:

NMR references: 13C - Oksuz, S., Gurek, F., Qiu, S.X., Cordell, G.A. J Nat Prod (1998) 61, 1198-201

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) 44.3
2 (CH) 37.4
3 (CH) 77.9
4 (CH) 51.7
5 (CH) 69.6
6 (C) 57
7 (CH) 81.4
8 (CH) 124.7
9 (CH) 134.9
10 (C) 147.2
11 (CH) 43.4
12 (CH) 37.9
13 (C) 89.9
14 (CH) 64.6
15 (C) 90.1
16 (CH3) 14.3
17 (CH) 98.9
18 (CH2) 113.5
19 (CH3) 19.7
20 (CH3) 25.6
3a (C) 165.4
3b (C) 126.8
3c (CH) 151
3d (CH) 153.6
3e (CH) 123.4
3f (CH) 137.5
5a (C) 168.4
5b (CH3) 22.7
7a (C) 164.5
7b (C) 129.3
7c (CH) 128.1
7d (CH) 132.6
7e (CH) 128.1
7f (CH) 132.6
7g (CH) 130.8
14a (C) 164.4
14b (C) 124.8
14c (CH) 150.3
14d (CH) 152.8
14e (CH) 123.1
14f (CH) 137
15a (C) 168.4
15b (CH3) 20.6