7β-Acetyl-6β-hydroxyisovouacapenol C

7β-Acetyl-6β-hydroxyisovouacapenol C

Common Name: 7β-Acetyl-6β-hydroxyisovouacapenol C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H34O5/c1-16-18-11-14-31-20(18)15-19-21(16)22(32-24(29)17-9-6-5-7-10-17)23(28)27(30)25(2,3)12-8-13-26(19,27)4/h5-7,9-11,14,16,19,21-23,28,30H,8,12-13,15H2,1-4H3/t16-,19-,21-,22+,23+,26+,27+/m0/s1

InChIKey: InChIKey=FWMYDXJJKFZPHW-WVTZLOSNSA-N

Formula: C27H34O5

Molecular Weight: 438.556879

Exact Mass: 438.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Roach, J.S., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1378-81

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) 35.2
2 (CH2) 8.2
3 (CH2) 37.5
4 (C) 39.3
5 (C) 77.8
6 (CH) 71.5
7 (CH) 75.5
8 (CH) 35.3
9 (CH) 37.3
10 (C) 40.7
11 (CH2) 21.8
12 (C) 149.5
13 (C) 121.6
14 (CH) 27.7
15 (CH) 109.5
16 (CH) 140.6
17 (CH3) 17.4
18 (CH3) 17.3
19 (CH3) 27.8
20 (CH3) 25.5
7a (C) 165.6
7b (C) 130
7c (CH) 129.7
7d (CH) 128.6
7e (CH) 133.3
7f (CH) 128.6
7g (CH) 129.7