Common Name: (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O4/c1-23(2)19-12-21(28)25(4)17-7-6-16(15-9-11-30-14-15)24(17,3)10-8-18(25)26(19,5)22(29)13-20(23)27/h7,9,11,14,16,18-22,27-29H,6,8,10,12-13H2,1-5H3/t16-,18-,19-,20+,21+,22-,24-,25-,26+/m0/s1
InChIKey: InChIKey=HEPXFFZSRWVRSA-VRRZSFKOSA-N
Formula: C26H38O4
Molecular Weight: 414.578502
Exact Mass: 414.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 72.21 |
2 (CH2) | 29.35 |
3 (CH) | 78.12 |
4 (C) | 37.33 |
5 (CH) | 33.97 |
6 (CH2) | 23.63 |
7 (CH) | 72.17 |
8 (C) | 44.29 |
9 (CH) | 34.33 |
10 (C) | 42.02 |
11 (CH2) | 15.59 |
12 (CH2) | 32.41 |
13 (C) | 47.56 |
14 (C) | 162.32 |
15 (CH) | 119.54 |
16 (CH2) | 34.1 |
17 (CH) | 51.4 |
18 (CH3) | 19.9 |
19 (CH3) | 16.07 |
20 (C) | 124.61 |
21 (CH) | 139.65 |
22 (CH) | 111.1 |
23 (CH) | 142.53 |
28 (CH3) | 27.89 |
29 (CH3) | 21.64 |
30 (CH3) | 27.72 |