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(3alpha,5beta,12alpha)-24-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,12-dihydroxycholan-24-one

Catalog ID
STL538375
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N1CCC(CC1)(O)c1ccc(cc1)Cl)C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C35H52ClNO4 MW 586.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52ClNO4/c1-22(4-13-32(40)37-18-16-35(41,17-19-37)23-5-8-25(36)9-6-23)28-11-12-29-27-10-7-24-20-26(38)14-15-33(24,2)30(27)21-31(39)34(28,29)3/h5-6,8-9,22,24,26-31,38-39,41H,4,7,10-21H2,1-3H3/t22-,24-,26-,27+,28-,29+,30+,31+,33+,34-/m1/s1
InChIKey
XWIZBPYXAGWGAD-MNMYVHHLSA-N
Synonyms

(3alpha5beta12alpha)24(4(4chlorophenyl)4hydroxypiperidin1yl)312dihydroxycholan24one
(4~(R))1(4(4chlorophenyl)4hydroxypiperidin1yl)4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentan1one
(R)1(4(4chlorophenyl)4hydroxypiperidin1yl)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71692371
InChI=1SC35H52ClNO4c122(41332(40)37181635(41171937)235825(36)9623)2811122927107242026(38)141533(242)30(27)2131(39)34(2829)3h568922242631383941H471021H213H3t22242627+2829+30+31+33+34m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)N1CCC(CC1)(O)c1ccc(cc1)Cl)C)C)C
ZINC000072326274
ZINC72326274

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Available files

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