9-Deoxy-7,8-epoxy-xeniolide-A

9-Deoxy-7,8-epoxy-xeniolide-A

Common Name: 9-Deoxy-7,8-epoxy-xeniolide-A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-13-7-8-17-20(4,24-17)11-9-14-15(6-5-10-19(2,3)22)18(21)23-12-16(13)14/h5-6,10,14,16-17,22H,1,7-9,11-12H2,2-4H3/b10-5+,15-6-/t14-,16+,17+,20+/m1/s1

InChIKey: InChIKey=YXTOBXGODMEKLL-PDXUZGLRSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - El-Gamal, A.A., Chiang, C.Y., Huang, S.H., Wang, S.K., Duh, C.Y. J Nat Prod (2005) 68, 1336-40

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) 148.9
2 (CH) 49.1
3 (CH) 42.3
4 (CH2) 36.4
5 (CH2) 39.7
6 (C) 59.1
7 (CH) 62.7
8 (CH2) 25.5
9 (CH2) 31.8
10 (C) 132.4
11 (CH) 137.3
12 (CH) 119.7
13 (CH) 151.4
14 (C) 71.2
15 (CH3) 29.9
16 (CH3) 29.9
17 (C) 170.4
18 (CH2) 71.1
19 (CH2) 115.9
20 (CH3) 16.8