(1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate

(1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate

Common Name: (1α,3α,5α,7α,13α,17α)-17-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H44O9/c1-16(33)38-24-15-26(40-18(3)35)32(8)22-11-12-30(6)20(19-13-27(36)41-28(19)37)9-10-21(30)31(22,7)25(39-17(2)34)14-23(32)29(24,4)5/h10,13,20,22-27,36H,9,11-12,14-15H2,1-8H3/t20-,22-,23-,24+,25+,26-,27+,30-,31-,32+/m0/s1

InChIKey: InChIKey=XQSFCQMTXZDUII-YXVMAUNXSA-N

Formula: C32H44O9

Molecular Weight: 572.687586

Exact Mass: 572.298533

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) 72.71
2 (CH2) 25.57
3 (CH) 76.24
4 (C) 35.96
5 (CH) 37.14
6 (CH2) 22.84
7 (CH) 75.21
8 (C) 42.32
9 (CH) 35.18
10 (C) 40.17
11 (CH2) 15.84
12 (CH2) 34.08
13 (C) 47.32
14 (C) 159
15 (CH) 118.41
16 (CH2) 32.66
17 (CH) 50.21
18 (CH3) 21.25
19 (CH3) 15.65
20 (C) 137.68
21 (C) 171.54
22 (CH) 145.6
23 (CH) 96.49
28 (CH3) 27.4
29 (CH3) 21.68
30 (CH3) 27.12
1a (C) 170.05
1b (CH3) 21.24
3a (C) 170.24
3b (CH3) 21.15
7a (C) 170.43
7b (CH3) 20.65