2a-Hydroxy-19-isovaleroyl-9-epi-ent-pirama-7,15-diene

2a-Hydroxy-19-isovaleroyl-9-epi-ent-pirama-7,15-diene

Common Name: 2a-Hydroxy-19-isovaleroyl-9-epi-ent-pirama-7,15-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O3/c1-7-23(4)11-10-20-18(13-23)8-9-21-24(5,14-19(26)15-25(20,21)6)16-28-22(27)12-17(2)3/h7-8,17,19-21,26H,1,9-16H2,2-6H3/t19-,20-,21+,23-,24+,25-/m0/s1

InChIKey: InChIKey=NOPRTXZONGXDES-MAAXEKJRSA-N

Formula: C25H40O3

Molecular Weight: 388.584242

Exact Mass: 388.297745

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Chaparro, A. Phytochemistry (1995) 40, 1209-12

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) 42.3
2 (CH) 64.3
3 (CH2) 41.2
4 (C) 38.6
5 (CH) 43.7
6 (CH2) 25.1
7 (CH) 119.3
8 (C) 136.6
9 (CH) 52.8
10 (C) 38
11 (CH2) 23
12 (CH2) 37.4
13 (C) 36.7
14 (CH2) 47.6
15 (CH) 150
16 (CH2) 109.3
17 (CH3) 21.7
18 (CH2) 67.1
19 (CH3) 27.6
20 (CH3) 23.9
18a (C) 173.3
18b (CH2) 43.5
18c (CH) 25.6
18d (CH3) 22.4
18ca (CH3) 22.4