7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone

7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone

Common Name: 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diaciddilactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-12-15(21)9-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)7-6-13-8-17(22)24-10-13/h4,12-13,16H,3,5-11H2,1-2H3/t12-,13-,16-,19+,20-/m1/s1

InChIKey: InChIKey=LUYUZBFGBTZZHC-JOXYBWGKSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hayashi, K., Kanamori, T., Yamazoe, A., Yamada, M., Nozaki, H. J Nat Prod (2005) 68, 1121-4

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) 20.4
2 (CH2) 27.3
3 (CH) 137
4 (C) 136.2
5 (C) 48
6 (CH2) 50.5
7 (C) 209
8 (CH) 51.3
9 (C) 43.6
10 (CH) 47.8
11 (CH2) 35.7
12 (CH2) 26.8
13 (CH) 35.9
14 (CH2) 34.5
15 (C) 176.3
16 (CH2) 72.9
17 (CH3) 7.8
18 (C) 167.8
19 (CH2) 71
20 (CH3) 19