3-epi-Skimmiarepin A

3-epi-Skimmiarepin A

Common Name: 3-epi-Skimmiarepin A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28-,29+,32+,33-,34+,35+/m0/s1

InChIKey: InChIKey=LEZNRZJCVJRZHO-ASJQIXIDSA-N

Formula: C35H56O6

Molecular Weight: 572.816868

Exact Mass: 572.40769

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kamperdick, C., Lien, T.P., Adam, G., Sung, T.V. J Nat Prod (2003) 66, 675-8

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) 38.19
2 (CH2) 23.5
3 (CH) 80.43
4 (C) 37.19
5 (CH) 45.98
6 (CH2) 24.1
7 (CH) 74.31
8 (C) 38.75
9 (CH) 44.09
10 (C) 37.08
11 (CH2) 16.29
12 (CH2) 25.5
13 (C) 28.88
14 (C) 36.8
15 (CH2) 26.26
16 (CH2) 27.43
17 (CH) 44.73
18 (CH2) 13.68
19 (CH3) 15.91
20 (CH) 49.28
21 (CH) 98.18
22 (CH2) 30.75
23 (CH) 78.39
24 (CH) 67.61
25 (C) 58
26 (CH3) 24.96
27 (CH3) 19.15
28 (CH3) 27.66
29 (CH3) 16.68
30 (CH3) 19.46
1a (C) 172.88
1b (CH2) 43.95
1c (CH) 25.73
1d (CH3) 22.45
1e (CH3) 22.34