13-Isovaleroyl-7-acetoxy-thyrsiflorane

13-Isovaleroyl-7-acetoxy-thyrsiflorane

Common Name: 13-Isovaleroyl-7-acetoxy-thyrsiflorane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44O4/c1-17(2)13-23(29)31-22-14-19-20(30-18(3)28)15-21-24(4,5)9-8-10-26(21,7)27(19)12-11-25(22,6)16-27/h17,19-22H,8-16H2,1-7H3/t19-,20+,21+,22-,25+,26+,27+/m1/s1

InChIKey: InChIKey=RSKFXMDGCXLBAK-FFZDEPCBSA-N

Formula: C27H44O4

Molecular Weight: 432.636882

Exact Mass: 432.32396

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Vargas, C. Phytochemistry (1995) 40, 1751-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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) 32.4
2 (CH2) 18.8
3 (CH2) 42
4 (C) 33.3
5 (CH) 46
6 (CH2) 28.1
7 (CH) 76
8 (CH) 41.9
9 (C) 53.4
10 (C) 38.5
11 (CH2) 44.7
12 (C) 46.2
13 (CH) 77.8
14 (CH2) 32.2
15 (CH2) 30.7
16 (CH2) 26
17 (CH3) 23.3
18 (CH3) 33.6
19 (CH3) 22.6
20 (CH3) 17.7
7a (C) 170.8
7b (CH3) 21.2
13a (C) 172.8
13b (CH2) 43.9
13c (CH) 25.2
13d (CH3) 22.5
13e (CH3) 20.1