3α,4β-Dihydroxy-15,16-epoxy-19-nor-12-oxo-cleroda-5(10),13(16),14-triene

3α,4β-Dihydroxy-15,16-epoxy-19-nor-12-oxo-cleroda-5(10),13(16),14-triene

Common Name: 3α,4β-Dihydroxy-15,16-epoxy-19-nor-12-oxo-cleroda-5(10),13(16),14-triene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H26O4/c1-12-4-5-15-14(6-7-17(21)19(15,3)22)18(12,2)10-16(20)13-8-9-23-11-13/h8-9,11-12,17,21-22H,4-7,10H2,1-3H3/t12-,17-,18+,19-/m1/s1

InChIKey: InChIKey=ZQHXZWUTMRCPSW-GBRSUSRYSA-N

Formula: C19H26O4

Molecular Weight: 318.408061

Exact Mass: 318.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Krebs, H.C., Ramiarantsoa, H. Phytochemistry (1997) 45, 379-81

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) 21.2
2 (CH2) 29.5
3 (CH) 75.4
4 (C) 77.3
5 (C) 127.5
6 (CH2) 30.8
7 (CH2) 28.4
8 (CH) 34.3
9 (C) 44.1
10 (C) 138.8
11 (CH2) 41.4
12 (C) 194
13 (C) 131.2
14 (CH) 108.5
15 (CH) 144.2
16 (CH) 147.4
17 (CH3) 20.2
18 (CH3) 22.9
20 (CH3) 19