3,4-epoxy-6-acetoxy-13-hydroxy-5,10-trans-cleroda-14-en-20,12-olide

3,4-epoxy-6-acetoxy-13-hydroxy-5,10-trans-cleroda-14-en-20,12-olide

Common Name: 3,4-epoxy-6-acetoxy-13-hydroxy-5,10-trans-cleroda-14-en-20,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O6/c1-7-19(4,25)17-11-22(18(24)27-17)12(2)10-16(26-13(3)23)20(5)14(22)8-9-15-21(20,6)28-15/h7,12,14-17,25H,1,8-11H2,2-6H3/t12-,14+,15-,16+,17-,19-,20+,21-,22-/m1/s1

InChIKey: InChIKey=FBWOLARPKLPEAY-RAKWSTEMSA-N

Formula: C22H32O6

Molecular Weight: 392.486723

Exact Mass: 392.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nabeta, K., Oohata, T., Ohkubo, S., Sato, T., Katoh, K. Phytochemistry (1996) 41, 581-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 16.7
2 (CH2) 33
3 (CH) 61.7
4 (C) 64.9
5 (C) 42.2
6 (CH) 76.4
7 (CH2) 27.9
8 (CH) 38.2
9 (C) 50.4
10 (CH) 52.8
11 (CH2) 36.6
12 (CH) 81.4
13 (C) 73.8
14 (CH) 138.5
15 (CH2) 115.9
16 (CH3) 25.7
17 (CH3) 16.1
18 (CH3) 11.4
19 (CH3) 21.2
20 (C) 176.3
19a (C) 170.7
19b (CH3) 21.8