(13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal

(13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal

Common Name: (13S,19S)-6α,7β-Diacetoxy-4α,18-epoxyneoclerodan-16,15-olide 19,2α-(methyl)acetal

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O9/c1-13-19(32-14(2)26)20(33-15(3)27)25-18(23(13,4)8-6-16-7-9-30-21(16)28)10-17(34-22(25)29-5)11-24(25)12-31-24/h13,16-20,22H,6-12H2,1-5H3/t13-,16-,17+,18-,19-,20+,22+,23+,24+,25+/m1/s1

InChIKey: InChIKey=HNCNICVYVSEJTQ-VYQMRMBXSA-N

Formula: C25H36O9

Molecular Weight: 480.548909

Exact Mass: 480.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., de la Torre, M.C., Simmonds, M.S., Blaney, W.M. J Nat Prod (1999) 62, 594-600

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) 28.1
2 (CH) 66.4
3 (CH2) 36.8
4 (C) 60.6
5 (C) 43.1
6 (CH) 70
7 (CH) 72.9
8 (CH) 39.9
9 (C) 39.7
10 (CH) 40.5
11 (CH2) 34.6
12 (CH2) 23.1
13 (CH) 39.1
14 (CH2) 26.9
15 (CH2) 66.3
16 (C) 178.8
17 (CH3) 10.6
18 (CH2) 49.5
19 (CH) 100.6
20 (CH3) 18
6a (C) 170.4
6b (CH3) 20.7
7a (C) 169.6
7b (CH3) 20.6
19a (CH3) 55.4