(4β,5β,6β,8ξ,9ξ,14β,15α,16β,17β)-17-{(1R)-1-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-4,14-dihydroxy-1-oxo-5,6:16,17-diepoxyandrost-2-en-15-yl acetate

(4β,5β,6β,8ξ,9ξ,14β,15α,16β,17β)-17-{(1R)-1-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-4,14-dihydroxy-1-oxo-5,6:16,17-diepoxyandrost-2-en-15-yl acetate

Common Name: (4β,5β,6β,8ξ,9ξ,14β,15α,16β,17β)-17-{(1R)-1-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-4,14-dihydroxy-1-oxo-5,6:16,17-diepoxyandrost-2-en-15-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3/t15-,17+,18-,19-,21+,22-,23+,24+,26+,27+,28-,29+,30-/m1/s1

InChIKey: InChIKey=VVQRJFUYBNCTQX-STRQQOONSA-N

Formula: C30H38O9

Molecular Weight: 542.61847

Exact Mass: 542.251583

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Nagafuji, S., Okabe, H., Akahane, H., Abe, F. Biol Pharm Bull (2004) 27, 193

Species:

Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) 202.7
2 (CH) 131.4
3 (CH) 145.9
4 (CH) 70.1
5 (C) 63.6
6 (CH) 60.8
7 (CH2) 26.1
8 (CH) 35.6
9 (CH) 40
10 (C) 48.2
11 (CH2) 20.2
12 (CH2) 31.3
13 (C) 46.7
14 (C) 81.3
15 (CH) 78.2
16 (CH) 59
17 (C) 76.1
18 (CH3) 15.3
19 (CH3) 16.9
20 (CH) 34.3
21 (CH3) 13.9
22 (CH) 76.8
23 (CH2) 32.9
24 (C) 149.6
25 (C) 121.8
26 (C) 165.8
27 (CH3) 12.5
28 (CH3) 19.9
15a (C) 169.5
15b (CH3) 20.7