(1R*,7R*,8S*,12R*)-dolabella-4(16),10-diene-7,8-epoxy-3,13- dione

(1R*,7R*,8S*,12R*)-dolabella-4(16),10-diene-7,8-epoxy-3,13- dione

Common Name: (1R*,7R*,8S*,12R*)-dolabella-4(16),10-diene-7,8-epoxy-3,13- dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-12(2)18-14-8-9-20(5)17(23-20)7-6-13(3)15(21)10-19(14,4)11-16(18)22/h8,12,17-18H,3,6-7,9-11H2,1-2,4-5H3/b14-8-/t17-,18+,19-,20+/m0/s1

InChIKey: InChIKey=VRQFTDZLAVZHMF-FSGNELOCSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Duh, C.Y., Chia, M.C., Wang, S.K., Chen, H.J., El-Gamal, A.A., Dai, C.F. J Nat Prod (2001) 64, 1028-31

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) 41.6
2 (CH2) 51.8
3 (C) 201.6
4 (C) 150.4
5 (CH2) 24.4
6 (CH2) 29
7 (CH) 61
8 (C) 62.1
9 (CH2) 40.6
10 (CH) 119.9
11 (C) 151.9
12 (CH) 58.4
13 (C) 216.8
14 (CH2) 53.7
15 (CH3) 29.7
16 (CH2) 126.2
17 (CH3) 17.2
18 (CH) 33.5
19 (CH3) 20.9
20 (CH3) 19.5