ent-Muqubilin Bezyl Ester (aR,3S,6R)-6-Dimethyl-6[(E)-4-methyl-6-(2.6,6-triinethylcyclohex-1-en-1-yl)-hex-3-onyl]-1,2-dioxane-3-acetyl Acid Benzyl Ester

ent-Muqubilin Bezyl Ester (aR,3S,6R)-6-Dimethyl-6[(E)-4-methyl-6-(2.6,6-triinethylcyclohex-1-en-1-yl)-hex-3-onyl]-1,2-dioxane-3-acetyl Acid Benzyl Ester

Common Name: ent-Muqubilin Bezyl Ester (aR,3S,6R)-6-Dimethyl-6[(E)-4-methyl-6-(2.6,6-triinethylcyclohex-1-en-1-yl)-hex-3-onyl]-1,2-dioxane-3-acetyl Acid Benzyl Ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H46O4/c1-23(16-17-27-24(2)13-11-19-30(27,4)5)12-10-20-31(6)21-18-28(34-35-31)25(3)29(32)33-22-26-14-8-7-9-15-26/h7-9,12,14-15,25,28H,10-11,13,16-22H2,1-6H3/b23-12+/t25-,28+,31-/m1/s1

InChIKey: InChIKey=UIDHZKHZBWBCMB-DNMSSEQISA-N

Formula: C31H46O4

Molecular Weight: 482.695707

Exact Mass: 482.33961

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - D'Ambrosio, M., A.Guerriero, Deharo, E., Debitus, C., Munoz, V., Pietra, F. Helv Chim Acta (1998) 81, 1285-92

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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
2 (C) 173.58
3 (CH) 43.03
4 (CH) 81.39
5 (CH2) 23.44
6 (CH2) 31.89
7 (C) 80.12
8 (CH2) 39.62
9 (CH2) 21.62
10 (CH) 123.22
11 (C) 136.42
12 (CH2) 40.18
13 (CH2) 27.8
14 (C) 137.06
15 (C) 126.9
16 (CH2) 32.73
17 (CH2) 19.53
18 (CH2) 39.81
19 (C) 34.95
20 (CH3) 28.59
21 (CH3) 28.59
22 (CH3) 19.8
23 (CH3) 15.99
24 (CH3) 20.68
25 (CH3) 13.67
1' (CH2) 66.4
2' (C) 128.13
3' (CH) 128.23
4' (CH) 128.53
5' (CH) 135.76
6' (CH) 128.53
7' (CH) 128.23