(13alpha,17alpha,20S,21S,23R,24S)-3alpha-(3-Methyl-2-butenoyloxy)-4,4,8beta-trimethyl-21,25-dimethoxy-21,24-epoxy-5alpha-cholesta-14-ene-7alpha,23-diol

(13alpha,17alpha,20S,21S,23R,24S)-3alpha-(3-Methyl-2-butenoyloxy)-4,4,8beta-trimethyl-21,25-dimethoxy-21,24-epoxy-5alpha-cholesta-14-ene-7alpha,23-diol

Common Name: (13alpha,17alpha,20S,21S,23R,24S)-3alpha-(3-Methyl-2-butenoyloxy)-4,4,8beta-trimethyl-21,25-dimethoxy-21,24-epoxy-5alpha-cholesta-14-ene-7alpha,23-diol

Synonyms: (13alpha,17alpha,20S,21S,23R,24S)-3alpha-(3-Methyl-2-butenoyloxy)-4,4,8beta-trimethyl-21,25-dimethoxy-21,24-epoxy-5alpha-cholesta-14-ene-7alpha,23-diol

CAS Registry Number:

InChI: InChI=1S/C37H60O7/c1-21(2)18-30(40)43-29-15-17-36(8)26-14-16-35(7)23(22-19-24(38)31(34(5,6)42-11)44-32(22)41-10)12-13-25(35)37(26,9)28(39)20-27(36)33(29,3)4/h13,18,22-24,26-29,31-32,38-39H,12,14-17,19-20H2,1-11H3/t22-,23-,24+,26+,27-,28+,29+,31-,32-,35-,36+,37-/m0/s1

InChIKey: InChIKey=YMLFCQJRXVCXAZ-FGKHGTFDSA-N

Formula: C37H60O7

Molecular Weight: 616.869508

Exact Mass: 616.433904

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mitsui, K., Maejima, M., Saito, H., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Tetrahedron (2005) 61, 10569-82

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) 33.4
2 (CH2) 22.8
3 (CH) 77.1
4 (C) 36.3
5 (CH) 41.8
6 (CH2) 23.6
7 (CH) 72.2
8 (C) 44.4
9 (CH) 41.7
10 (C) 37.6
11 (CH2) 16.5
12 (CH2) 33.4
13 (C) 46.7
14 (C) 162.2
15 (CH) 119.6
16 (CH2) 33.8
17 (CH) 54.4
18 (CH3) 19.5
19 (CH3) 15.3
20 (CH) 33.2
21 (CH) 100.7
22 (CH2) 31.6
23 (CH) 65.1
24 (CH) 74
25 (C) 78.7
26 (CH3) 22.2
27 (CH3) 21.6
28 (CH3) 27.8
29 (CH3) 21.8
30 (CH3) 27.8
3a (C) 166.6
3b (CH) 117
3c (C) 155.8
3d (CH3) 27.4
3ca (CH3) 20.3
21a (CH3) 54.4
25a (CH3) 49.8