9α,13α,15,16-Bisepoxy-15-hydroxy-3-oxo-labdan-6eta-19-olide

9α,13α,15,16-Bisepoxy-15-hydroxy-3-oxo-labdan-6eta-19-olide

Common Name: 9α,13α,15,16-Bisepoxy-15-hydroxy-3-oxo-labdan-6eta-19-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O7/c1-10-6-11-15-17(2,5-4-12(21)18(15,3)16(24)26-11)20(10)7-13(22)19(27-20)8-14(23)25-9-19/h10-11,14-15,23H,4-9H2,1-3H3/t10-,11-,14+,15-,17+,18+,19-,20-/m1/s1

InChIKey: InChIKey=JSUVYJUNZMGBCL-UAQZUXGWSA-N

Formula: C20H26O7

Molecular Weight: 378.417012

Exact Mass: 378.167853

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Khalil, A.T., Gedara, S.R., Lahloub, M.F., Halim, A.F. Phytochemistry (1996) 41, 1569-71

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) 34.7
2 (CH2) 34.1
3 (C) 206.4
4 (C) 53.51
5 (CH) 47.9
6 (CH) 74.6
7 (CH2) 31.1
8 (CH) 31.4
9 (C) 90.4
10 (C) 39.4
11 (CH2) 29.35
12 (C) 29.3
13 (C) 89.3
14 (CH2) 47.4
15 (CH) 99.3
16 (CH2) 77.6
17 (CH3) 17.01
18 (CH3) 19
19 (C) 174.3
20 (CH3) 20.4