Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate

Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate

Common Name: Methyl (2S,4R,5R,11R,12S)-5,11-diisopropenyl-14-oxo-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H22O6/c1-9(2)11-6-14-12(20(22)24-5)7-15(25-14)17(10(3)4)16-8-13(21(23)26-16)19-18(11)27-19/h7-8,11,16-19H,1,3,6H2,2,4-5H3/t11-,16+,17+,18-,19+/m1/s1

InChIKey: InChIKey=HGJODUIUVPXWLZ-HVEWUWHJSA-N

Formula: C21H22O6

Molecular Weight: 370.39658

Exact Mass: 370.141638

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tinto, W.F., Laydoo, R.S., Miller, S.L., Reynolds, W.F., McLean, S. J Nat Prod (1995) 58, 1975-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) 42.47
2 (CH2) 28.2
3 (C) 160.63
4 (C) 114.67
5 (CH) 111.32
6 (C) 150.1
7 (CH) 49.32
8 (CH) 79.29
9 (CH) 149.53
10 (C) 129.97
11 (CH) 52.05
12 (CH) 60.07
13 (C) 145.01
14 (CH2) 112.71
15 (CH3) 20.98
16 (C) 163.93
17 (C) 140.04
18 (CH2) 115.41
19 (CH3) 21.52
20 (C) 170.5
16a (CH3) 51.58