21-Deacetyl-Raspacionin-A

21-Deacetyl-Raspacionin-A

Common Name: 21-Deacetyl-Raspacionin-A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H54O7/c1-20-10-11-25-31(18-19-32(35,39-31)27(5,6)38-25)29(20,8)16-12-22-28(7)15-13-23(34)26(3,4)37-24(28)14-17-30(22,9)36-21(2)33/h20,22-25,34-35H,10-19H2,1-9H3/t20-,22+,23+,24-,25-,28-,29-,30+,31+,32+/m1/s1

InChIKey: InChIKey=DAVHENLMKYDPFU-LNPCDXHXSA-N

Formula: C32H54O7

Molecular Weight: 550.768184

Exact Mass: 550.386954

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cimino, G., Crispino, A., Epifanio, R.d.A., Madaio, A., Mattia, C.A., Mazzarella, L., Puliti, R., Trivellone, E., Uriz, M. Tetrahedron (1992) 48, 9013-22

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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) 76.64
3 (C) 105.72
4 (CH2) 32.74
5 (CH2) 23.76
6 (C) 89.96
7 (CH) 71.31
8 (CH2) 28.4
9 (CH2) 27.55
10 (CH) 39.65
11 (C) 41.25
12 (CH2) 33.19
13 (CH2) 25.17
14 (CH) 51.74
15 (C) 85.03
16 (CH2) 33.57
17 (CH2) 26.79
18 (CH) 70.21
19 (C) 41.41
20 (CH2) 36.61
21 (CH2) 29.48
22 (CH) 78.97
23 (C) 76.45
24 (CH3) 18.86
25 (CH3) 24.75
26 (CH3) 19.2
27 (CH3) 15.17
28 (CH3) 25.29
29 (CH3) 20.76
30 (CH3) 24.34
31 (CH3) 21.8
15a (C) 170.83
15b (CH3) 23.08