(2S,5R,7R,8R,11S,3Z)-2-Isopropenyl-4-isopropyl-5-acetoxy-7,11-dimethyl-7,8-epoxycyclododeca-3-ene-1-one

(2S,5R,7R,8R,11S,3Z)-2-Isopropenyl-4-isopropyl-5-acetoxy-7,11-dimethyl-7,8-epoxycyclododeca-3-ene-1-one

Common Name: (2S,5R,7R,8R,11S,3Z)-2-Isopropenyl-4-isopropyl-5-acetoxy-7,11-dimethyl-7,8-epoxycyclododeca-3-ene-1-one

Synonyms: (2S,5R,7R,8R,11S,3Z)-2-Isopropenyl-4-isopropyl-5-acetoxy-7,11-dimethyl-7,8-epoxycyclododeca-3-ene-1-one

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-13(2)17-11-18(14(3)4)20(25-16(6)23)12-22(7)21(26-22)9-8-15(5)10-19(17)24/h11,14-15,17,20-21H,1,8-10,12H2,2-7H3/b18-11-/t15-,17-,20+,21+,22+/m0/s1

InChIKey: InChIKey=NNFPSPLFNGODDW-YIKODGQKSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marville, K.I., Reynolds, W.F., Sealy, R.L., Tinto, W.F. Heterocycles (2004) 63, 107-13

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cubitanes; 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 (CH) 28.9
2 (CH2) 32.3
3 (CH2) 24.7
4 (CH) 60.2
5 (C) 57.7
6 (CH2) 42.4
7 (CH) 70.2
8 (C) 143
9 (CH) 127.1
10 (CH) 54.2
11 (C) 209.5
12 (CH2) 51.5
13 (CH3) 20.4
14 (CH3) 18.4
15 (CH) 28.2
16 (CH3) 22
17 (CH3) 25.9
18 (C) 142.3
19 (CH3) 21
20 (CH2) 113.8
7a (C) 169.6
7b (CH3) 21.2