CAS 14668-13-4 | Piperidinium, 1-[(2β,3α,5α)-3-(acetyloxy)-17-oxoandrostan-2-yl]-1-methyl-, bromide (9CI) | CAS Number 14668-13-4

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14668-13-4 | Piperidinium, 1-[(2β,3α,5α)-3-(acetyloxy)-17-oxoandrostan-2-yl]-1-methyl-, bromide (9CI)

CAS No: 14668-13-4 Catalog No: AG001E7Y MDL No:

Product Description

Catalog Number:

AG001E7Y

Chemical Name:

Piperidinium, 1-[(2β,3α,5α)-3-(acetyloxy)-17-oxoandrostan-2-yl]-1-methyl-, bromide (9CI)

CAS Number:

14668-13-4

Molecular Formula:

C27H44BrNO3

Molecular Weight:

510.5472

IUPAC Name:

[(2S,3S,5S,10S,13S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate;bromide

InChI:

InChI=1S/C27H44NO3.BrH/c1-18(29)31-24-16-19-8-9-20-21-10-11-25(30)26(21,2)13-12-22(20)27(19,3)17-23(24)28(4)14-6-5-7-15-28;/h19-24H,5-17H2,1-4H3;1H/q+1;/p-1/t19-,20?,21?,22?,23-,24-,26-,27-;/m0./s1

InChI Key:

SUEWSNSMISKYCH-IRLPSLACSA-M

SMILES:

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]1(C)CCCCC1)C)CC[C@]1([C@H]3CCC1=O)C.[Br-]