3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1,2-O-isopropylidene-sn-glycerol

3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1,2-O-isopropylidene-sn-glycerol

Common Name: 3-(14R)-ent-Isocopal-13(16)-en-15-oyl-1,2-O-isopropylidene-sn-glycerol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H42O3/c1-17-9-10-21-25(6)13-8-12-23(2,3)20(25)11-14-26(21,7)22(17)19(27)15-18-16-28-24(4,5)29-18/h18,20-22H,1,8-16H2,2-7H3/t18-,20-,21+,22-,25-,26+/m0/s1

InChIKey: InChIKey=WAEWNEIRGOCOGL-VGWNVMEESA-N

Formula: C26H42O3

Molecular Weight: 402.61086

Exact Mass: 402.313395

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) 40.4
8 (C) 39.7
9 (CH) 59.2
10 (C) 37.8
11 (CH2) 22.1
12 (CH2) 36.1
13 (C) 143.4
14 (CH) 63.1
15 (C) 171.2
16 (CH2) 108.1
17 (CH3) 15
18 (CH3) 33.4
19 (CH3) 21.5
20 (CH3) 16.2
15a (CH2) 64
15b (CH) 73.6
15c (CH2) 66.7
15d (C) 109.7
15da (CH3) 26.7
15db (CH3) 25.4