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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(pyridin-4-ylmethyl)cholan-24-amide

Catalog ID
STL538460
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCc1ccncc1)C)C)O)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 C30H46N2O4 MW 498.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O4/c1-18(4-7-27(36)32-17-19-9-12-31-13-10-19)22-5-6-23-28-24(16-26(35)30(22,23)3)29(2)11-8-21(33)14-20(29)15-25(28)34/h9-10,12-13,18,20-26,28,33-35H,4-8,11,14-17H2,1-3H3,(H,32,36)/t18-,20+,21-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1
InChIKey
ZCMMGXWHAKYRQX-XDZGTSNGSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(pyridin4ylmethyl)cholan24amide
(4~(R))~(N)(pyridin4ylmethyl)4((3~(R)5~(S)7~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(pyridin4ylmethyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692312
InChI=1SC30H46N2O4c118(4727(36)32171991231131019)2256232824(1626(35)30(2223)3)29(2)11821(33)1420(29)1525(28)34h9101213182026283335H48111417H213H3(H3236)t1820+212223+24+2526+28+29+30m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@H)((C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)NCc1ccncc1)C)C)O)C
ZINC000072326158
ZINC72326158

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Available files

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