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-VZNWMQMMSA-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)
Position | PPM |
---|---|
1 (CH) | 72.63 |
2 (CH2) | 25.47 |
3 (CH) | 76.61 |
4 (C) | 35.96 |
5 (CH) | 37.16 |
6 (CH2) | 22.84 |
7 (CH) | 75.25 |
8 (C) | 42.32 |
9 (CH) | 35.18 |
10 (C) | 40.16 |
11 (CH2) | 15.87 |
12 (CH2) | 33.75 |
13 (C) | 47.53 |
14 (C) | 158.85 |
15 (CH) | 118.55 |
16 (CH2) | 32.93 |
17 (CH) | 50.45 |
18 (CH3) | 21.28 |
19 (CH3) | 15.65 |
20 (C) | 137.99 |
21 (C) | 170.43 |
22 (CH) | 145.74 |
23 (CH) | 96.62 |
28 (CH3) | 27.4 |
29 (CH3) | 21.68 |
30 (CH3) | 27.14 |
1a (C) | 170.18 |
1b (CH3) | 21.2 |
3a (C) | 170.24 |
3b (CH3) | 21.11 |
7a (C) | 170.25 |
7b (CH3) | 20.6 |