Methyl 15,17-epoxy-17α-methoxy-ent-isocopalan-16-oate

Methyl 15,17-epoxy-17α-methoxy-ent-isocopalan-16-oate

Common Name: Methyl 15,17-epoxy-17α-methoxy-ent-isocopalan-16-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-20(2)10-6-11-21(3)16(20)9-12-22-15(13-26-19(22)25-5)14(18(23)24-4)7-8-17(21)22/h14-17,19H,6-13H2,1-5H3/t14-,15-,16+,17-,19+,21+,22-/m1/s1

InChIKey: InChIKey=LAVQAESMCHBXRC-QPGNEOJTSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yong, K.W.L., Salim, A.A., Garson, M.J. Tetrahedron (2008) 64, 6733-8

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) 38.8
2 (CH2) 18.2
3 (CH2) 41.8
4 (C) 32.9
5 (CH) 56.4
6 (CH2) 20.6
7 (CH2) 36.8
8 (C) 49
9 (CH) 49.5
10 (C) 37.9
11 (CH2) 15.6
12 (CH2) 18.9
13 (CH) 39.1
14 (CH) 50.4
15 (CH2) 65.7
16 (C) 175.5
17 (CH) 105.6
18 (CH3) 33.3
19 (CH3) 21.4
20 (CH3) 13.8
16a (CH3) 51.4
17a (CH3) 55.2