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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(pyridin-2-yl)cholan-24-amide

Catalog ID
STL538640
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)Nc1ccccn1)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 C29H44N2O4 MW 484.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O4/c1-17(7-10-26(35)31-25-6-4-5-13-30-25)20-8-9-21-27-22(16-24(34)29(20,21)3)28(2)12-11-19(32)14-18(28)15-23(27)33/h4-6,13,17-24,27,32-34H,7-12,14-16H2,1-3H3,(H,30,31,35)/t17-,18+,19-,20-,21+,22+,23-,24+,27+,28+,29-/m1/s1
InChIKey
UJMSUQOBOIZPPU-JPIKTFBASA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(pyridin2yl)cholan24amide
(4~(R))~(N)pyridin2yl4((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(pyridin2yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692287
InChI=1SC29H44N2O4c117(71026(35)3125645133025)2089212722(1624(34)29(2021)3)28(2)121119(32)1418(28)1523(27)33h46131724273234H7121416H213H3(H303135)t1718+192021+22+2324+27+28+29m1s1
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)Nc1ccccn1)C)C)O)C
ZINC000072326096
ZINC72326096

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Available files

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