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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(6-methoxypyridin-3-yl)cholan-24-amide

Catalog ID
STL538702
SMILES COc1ccc(cn1)NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)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 C30H46N2O5 MW 514.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O5/c1-17(5-9-26(36)32-19-6-10-27(37-4)31-16-19)21-7-8-22-28-23(15-25(35)30(21,22)3)29(2)12-11-20(33)13-18(29)14-24(28)34/h6,10,16-18,20-25,28,33-35H,5,7-9,11-15H2,1-4H3,(H,32,36)/t17-,18+,20-,21-,22+,23+,24-,25+,28+,29+,30-/m1/s1
InChIKey
ZBSSTKZYEZFIRG-ZSLTUGHHSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(6methoxypyridin3yl)cholan24amide
(4~(R))~(N)(6methoxypyridin3yl)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(6methoxypyridin3yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71691874
COc1ccc(cn1)NC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2(C@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC30H46N2O5c117(5926(36)321961027(374)311619)2178222823(1525(35)30(2122)3)29(2)121120(33)1318(29)1424(28)34h61016182025283335H5791115H214H3(H3236)t1718+202122+23+2425+28+29+30m1s1
ZINC000072325113
ZINC72325113

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Available files

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