(1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one

(1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one

Common Name: (1R,2R,7R)-2-[(2S)-2-(3-Furyl)-2-hydroxyethyl]-7-methyl-3-methylene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O4/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/h6,9,11,15-17,21H,1,3-5,7-8,10,12H2,2H3/t15-,16-,17-,19+,20-/m1/s1

InChIKey: InChIKey=KYZAWEZJJFQWBQ-RISVGRPXSA-N

Formula: C20H26O4

Molecular Weight: 330.418797

Exact Mass: 330.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Temussi, F., Zarrelli, A. Phytochemistry (2001) 58, 299-304

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) 35.9
2 (CH2) 20.8
3 (CH2) 41
4 (C) 33.7
5 (CH) 50.9
6 (CH2) 27.8
7 (CH2) 36.8
8 (C) 145.8
9 (CH) 49
10 (C) 50.9
11 (CH2) 34.1
12 (CH) 66.1
13 (C) 128.3
14 (CH) 108.2
15 (CH) 143.5
16 (CH) 139.7
17 (CH2) 108.6
18 (CH3) 23.6
19 (CH2) 76.4
20 (C) 178