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)
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 |