(14R)-ent-Isocopal-13(16)-en-15-acetate

(14R)-ent-Isocopal-13(16)-en-15-acetate

Common Name: (14R)-ent-Isocopal-13(16)-en-15-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O2/c1-15-8-9-19-21(5,17(15)14-24-16(2)23)13-10-18-20(3,4)11-7-12-22(18,19)6/h17-19H,1,7-14H2,2-6H3/t17-,18+,19+,21+,22+/m1/s1

InChIKey: InChIKey=IHOXABARBVPMJF-LJCDUQBNSA-N

Formula: C22H36O2

Molecular Weight: 332.520867

Exact Mass: 332.27153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gavagnin, M., Ungur, N., Castelluccio, F., Muniain, C., Cimino, G. J Nat Prod (1999) 62, 269-74

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) 40.1
2 (CH2) 18.9
3 (CH2) 42
4 (C) 33.3
5 (CH) 56.4
6 (CH2) 18.6
7 (CH2) 40.6
8 (C) 39.3
9 (CH) 59.8
10 (C) 37.8
11 (CH2) 22.7
12 (CH2) 37.5
13 (C) 146.8
14 (CH) 55.1
15 (CH2) 61.5
16 (CH2) 106.8
17 (CH3) 16.1
18 (CH3) 33.3
19 (CH3) 21.4
20 (CH3) 16.3
15a (C) 171.4
15b (CH3) 21.1