Methyl 6α-Acetoxy-7β-hydroxyvouacapan-17β-oate

Methyl 6α-Acetoxy-7β-hydroxyvouacapan-17β-oate

Common Name: Methyl 6α-Acetoxy-7β-hydroxyvouacapan-17β-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O6/c1-12(24)29-19-18(25)17-14(23(4)9-6-8-22(2,3)20(19)23)11-15-13(7-10-28-15)16(17)21(26)27-5/h7,10,14,16-20,25H,6,8-9,11H2,1-5H3/t14-,16+,17+,18+,19-,20-,23+/m0/s1

InChIKey: InChIKey=AEDZUFBWBWIGNN-SECPUZEFSA-N

Formula: C23H32O6

Molecular Weight: 404.497459

Exact Mass: 404.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Campos, A.M., Silveira, E.R., Brazfilho, R., Teixeira, T.C. Phytochemistry (1994) 36, 403-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) 39.2
2 (CH2) 18.3
3 (CH2) 43.4
4 (C) 33.1
5 (CH) 54.9
6 (CH) 75.5
7 (CH) 81.2
8 (CH) 42.5
9 (CH) 47.9
10 (C) 38.7
11 (CH2) 22
12 (C) 150.5
13 (C) 113.4
14 (CH) 46.4
15 (CH) 108.5
16 (CH) 141.4
17 (C) 175.5
18 (CH3) 36.2
19 (CH3) 22.5
20 (CH3) 15.4
6a (C) 172
6b (CH3) 21.8
17a (CH3) 52.3