3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1-acetyl-sn-glycerol

3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1-acetyl-sn-glycerol

Common Name: 3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1-acetyl-sn-glycerol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O5/c1-16-8-9-20-24(5)12-7-11-23(3,4)19(24)10-13-25(20,6)21(16)22(28)30-15-18(27)14-29-17(2)26/h18-21,27H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m1/s1

InChIKey: InChIKey=MRIXNVIBMMFXCM-FHILBSSYSA-N

Formula: C25H40O5

Molecular Weight: 420.583052

Exact Mass: 420.287574

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
2 (CH2) 18.5
3 (CH2) 42
4 (C) 33.3
5 (CH) 56.7
6 (CH2) 18.6
7 (CH2) 40.5
8 (C) 39.8
9 (CH) 59.2
10 (C) 37.8
11 (CH2) 22.1
12 (CH2) 36.1
13 (C) 143.4
14 (CH) 63.2
15 (C) 171.6
16 (CH2) 108.2
17 (CH3) 15
18 (CH3) 33.4
19 (CH3) 21.5
20 (CH3) 16.2
15a (CH2) 64.6
15b (CH) 68.3
15c (CH2) 65.2
15d (C) 171
15e (CH3) 20.8