(12S)-11α,14α-Epoxy-13α,14β,15-trihydroxycyath-3-ene

(12S)-11α,14α-Epoxy-13α,14β,15-trihydroxycyath-3-ene

Common Name: (12S)-11α,14α-Epoxy-13α,14β,15-trihydroxycyath-3-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-11(2)12-5-6-18(3)7-8-19(4)14(16(12)18)9-15-13(10-21)17(22)20(19,23)24-15/h11,13-15,17,21-23H,5-10H2,1-4H3/t13-,14-,15-,17-,18-,19-,20+/m1/s1

InChIKey: InChIKey=IQCGVKTZKMKJLD-BHHNFVLOSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Shiono, Y., Hiramatsu, F., Murayama, T., Koseki, T., Funakoshi, T. Chem Biodivers (2008) 5, 1811-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 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) 40.1
2 (CH2) 29
3 (C) 140
4 (C) 136.7
5 (CH) 38.2
6 (C) 43.6
7 (CH2) 30.3
8 (CH2) 37.6
9 (C) 49.4
10 (CH2) 32.1
11 (CH) 75.7
12 (CH) 48.3
13 (CH) 70
14 (C) 107.3
15 (CH2) 62.1
16 (CH3) 13.4
17 (CH3) 24.1
18 (CH) 26.4
19 (CH3) 21.5
20 (CH3) 22.6