3α,4α-Epoxyrupicolin C

3α,4α-Epoxyrupicolin C

Common Name: 3α,4α-Epoxyrupicolin C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O6/c1-6-9(2)17(21)24-12-7-10(3)20(23)8-13-19(5,26-13)16(20)15-14(12)11(4)18(22)25-15/h6,12-16,23H,3-4,7-8H2,1-2,5H3/b9-6+/t12-,13+,14+,15-,16-,19+,20+/m0/s1

InChIKey: InChIKey=KIIPATPYZGTRNR-ZKTNLPBASA-N

Formula: C20H24O6

Molecular Weight: 360.401726

Exact Mass: 360.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jin, H.Z., Lee, J.H., Lee, D., Hong, Y.S., Kim, Y.H., Lee, J.J. Phytochemistry (2004) 65, 2247-53

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) 81.89
2 (CH2) 40.67
3 (CH) 64.32
4 (C) 67.39
5 (CH) 61.1
6 (CH) 75.26
7 (CH) 46.87
8 (CH) 72.83
9 (CH2) 35.15
10 (C) 140.73
11 (C) 136.59
12 (C) 168.61
13 (CH2) 122.59
14 (CH2) 117.94
15 (CH3) 18.53
8a (C) 166.83
8b (C) 125.99
8c (CH) 140.49
8d (CH3) 15.91
8ba (CH3) 20.44