15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

Common Name: 15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O4/c1-13-4-5-17-19(2)7-3-8-20(17,18(22)24-12-19)15(13)10-16(21)14-6-9-23-11-14/h6,9,11,15,17H,1,3-5,7-8,10,12H2,2H3/t15-,17-,19+,20-/m0/s1

InChIKey: InChIKey=MMJRZYRMOZZOKA-UUXHPUJUSA-N

Formula: C20H24O4

Molecular Weight: 328.402916

Exact Mass: 328.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Qais, N., Mandal, M.R., Rashid, M.A., Jabbar, A., Koshino, H., Nagasawa, K., Nakata, T. J Nat Prod (1998) 61, 156-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 36.34
2 (CH2) 20.84
3 (CH2) 41.01
4 (C) 33.43
5 (CH) 49.15
6 (CH2) 27.58
7 (CH2) 36.28
8 (C) 146.54
9 (CH) 46.13
10 (C) 50.4
11 (CH2) 38.09
12 (C) 194.76
13 (C) 127.98
14 (CH) 108.64
15 (CH) 144.11
16 (CH) 147.37
17 (CH2) 107.84
18 (CH3) 23.6
19 (CH2) 76.64
20 (C) 173.56