(1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate

(1α,3α,5α,7α,13α,17α)-17-(3-Furyl)-1,3-dihydroxy-4,4,8-trimethylandrost-14-en-7-yl acetate

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)

Carbon NMR Peaks

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