Common Name: (1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O5/c1-16(29)33-24-13-21-25(2,3)22(30)14-23(31)27(21,5)20-9-11-26(4)18(17-10-12-32-15-17)7-8-19(26)28(20,24)6/h8,10,12,15,18,20-24,30-31H,7,9,11,13-14H2,1-6H3/t18-,20+,21-,22+,23-,24+,26-,27+,28-/m0/s1
InChIKey: InChIKey=SGSKYBFWMRAWOM-KPVLGALESA-N
Formula: C28H40O5
Molecular Weight: 456.61526
Exact Mass: 456.287574
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) | 72.23 |
2 (CH2) | 29.46 |
3 (CH) | 77.77 |
4 (C) | 37.23 |
5 (CH) | 35.31 |
6 (CH2) | 23.11 |
7 (CH) | 75.29 |
8 (C) | 42.09 |
9 (CH) | 35.47 |
10 (C) | 41.67 |
11 (CH2) | 15.71 |
12 (CH2) | 32.94 |
13 (C) | 47.32 |
14 (C) | 159.94 |
15 (CH) | 118.18 |
16 (CH2) | 34.28 |
17 (CH) | 51.35 |
18 (CH3) | 19.95 |
19 (CH3) | 16.16 |
20 (C) | 124.89 |
21 (CH) | 139.56 |
22 (CH) | 111.11 |
23 (CH) | 142.4 |
28 (CH3) | 27.96 |
29 (CH3) | 21.33 |
30 (CH3) | 27.45 |
7a (C) | 170.61 |
7b (CH3) | 21.45 |