Common Name: Methyl (3α,5α,13α,16α,17α,23R,24E)-3-acetoxy-4,4,17-trimethyl-16,23-epoxycholesta-8,14,24-trien-26-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O5/c1-19(29(35)36-9)16-22-17-20(2)33(8)28(38-22)18-25-23-10-11-26-30(4,5)27(37-21(3)34)13-14-31(26,6)24(23)12-15-32(25,33)7/h16,18,20,22,26-28H,10-15,17H2,1-9H3/b19-16+/t20-,22+,26+,27-,28-,31-,32-,33-/m1/s1
InChIKey: InChIKey=PCJOGINZIKUMKI-WGDFHNNHSA-N
Formula: C33H48O5
Molecular Weight: 524.732465
Exact Mass: 524.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira L.M., Kijjoa A., Silva A.M., Mondranondra I.O., Kengthong S., Gales L., Damas A.M., Herz W. Phytochemistry (2004) 65, 393-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 29.91 |
2 (CH2) | 23.09 |
3 (CH) | 77.66 |
4 (C) | 36.71 |
5 (CH) | 45.33 |
6 (CH2) | 17.8 |
7 (CH2) | 26.43 |
8 (C) | 122.65 |
9 (C) | 145.9 |
10 (C) | 37.97 |
11 (CH2) | 22.24 |
12 (CH2) | 29.88 |
13 (C) | 48.07 |
14 (C) | 155.55 |
15 (CH) | 115.63 |
16 (CH) | 89.27 |
17 (C) | 45.87 |
18 (CH3) | 24.69 |
19 (CH3) | 18.85 |
20 (CH) | 39.05 |
21 (CH3) | 16.42 |
22 (CH2) | 36.35 |
23 (CH) | 74.27 |
24 (CH) | 142.11 |
25 (C) | 127.71 |
26 (C) | 168.4 |
27 (CH3) | 13 |
28 (CH3) | 27.55 |
29 (CH3) | 21.74 |
30 (CH3) | 22.47 |
3a (C) | 170.84 |
3b (CH3) | 21.3 |
26a (CH3) | 51.78 |