15,16-Diacetoxy-12,13-15,16-diepoxy-14-hydroxy-neo-clerod-3-ene

15,16-Diacetoxy-12,13-15,16-diepoxy-14-hydroxy-neo-clerod-3-ene

Common Name: 15,16-Diacetoxy-12,13-15,16-diepoxy-14-hydroxy-neo-clerod-3-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O7/c1-13-8-7-9-17-22(13,5)11-10-14(2)23(17,6)12-18-24(31-18)19(27)20(28-15(3)25)30-21(24)29-16(4)26/h8,14,17-21,27H,7,9-12H2,1-6H3/t14-,17+,18-,19-,20+,21-,22+,23+,24-/m1/s1

InChIKey: InChIKey=RVFCBWZSWQCSCW-PZXCJOJVSA-N

Formula: C24H36O7

Molecular Weight: 436.539363

Exact Mass: 436.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gordaliza, M., Delcorral, J.M.M., Mahiques, M.M., Castro, M.A., Sanfeliciano, A. Phytochemistry (1995) 40, 1307-9

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) 26.8
2 (CH2) 21
3 (CH) 120.8
4 (C) 143.8
5 (C) 39.8
6 (CH2) 36.7
7 (CH2) 27.3
8 (CH) 37.6
9 (C) 37.8
10 (CH) 48.2
11 (CH2) 32.3
12 (CH) 57.2
13 (C) 68.9
14 (CH) 71.4
15 (CH) 103.6
16 (CH) 99.6
17 (CH3) 16.2
18 (CH3) 17.9
19 (CH3) 19.1
20 (CH3) 17.5
15a (C) 169.1
15b (CH3) 21
16a (C) 169.3
16b (CH3) 19.9