(8R,9S,22R)-3-ethoxy-3-oxo-9,19-cyclo-3,4-secolanosta-4,24-dien-26-olc acid 22,26-lactone

(8R,9S,22R)-3-ethoxy-3-oxo-9,19-cyclo-3,4-secolanosta-4,24-dien-26-olc acid 22,26-lactone

Common Name: (8R,9S,22R)-3-ethoxy-3-oxo-9,19-cyclo-3,4-secolanosta-4,24-dien-26-olc acid 22,26-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H48O4/c1-8-35-27(33)14-16-31-19-32(31)18-17-29(6)24(22(5)25-11-9-21(4)28(34)36-25)13-15-30(29,7)26(32)12-10-23(31)20(2)3/h9,22,24-26H,8,10-19H2,1-7H3/t22-,24+,25+,26-,29+,30-,31+,32-/m0/s1

InChIKey: InChIKey=FQCWHBVZEXLSCM-VSCCDWCVSA-N

Formula: C32H48O4

Molecular Weight: 496.722325

Exact Mass: 496.35526

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, W., Liu, J.Z., Ma, X.C., Yang, M., Wang, W.X., Xu, Z.R., Liu, P., Guo, D.A. Helv Chim Acta (2006) 89, 1888-93

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 29.16
2 (CH2) 33.18
3 (C) 173.97
4 (C) 129.11
5 (C) 130.94
6 (CH2) 25.4
7 (CH2) 28.23
8 (CH) 48.49
9 (C) 25.15
10 (C) 26.75
11 (CH2) 27.29
12 (CH2) 33.38
13 (C) 45.58
14 (C) 48.64
15 (CH2) 36.65
16 (CH2) 25.52
17 (CH) 44.97
18 (CH3) 18.88
19 (CH2) 34.44
20 (CH) 38.98
21 (CH3) 13.1
22 (CH) 80.59
23 (CH2) 23.55
24 (CH) 139.51
25 (C) 128.23
26 (C) 166.68
27 (CH3) 17.02
28 (CH3) 21
29 (CH3) 20.16
30 (CH3) 19.72
3a (CH2) 60.21
3b (CH3) 14.22