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/C20H28O5/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/h4,12-13,15-16,21H,3,5-11H2,1-2H3/t12-,13-,15-,16-,19+,20-/m1/s1

InChIKey: InChIKey=HDHVLYXLWIMGEO-FIEGYAEPSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

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) 19.3
2 (CH2) 27.6
3 (CH) 134.9
4 (C) 139.1
5 (C) 44.8
6 (CH2) 40.3
7 (CH) 72.4
8 (CH) 40.3
9 (C) 38.3
10 (CH) 48.2
11 (CH2) 36.2
12 (CH2) 26.5
13 (CH) 36.1
14 (CH2) 34.6
15 (C) 176.7
16 (CH2) 73.2
17 (CH3) 11.9
18 (C) 169.8
19 (CH2) 72.6
20 (CH3) 19.2