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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(1H-indol-6-yl)cholan-24-amide

Catalog ID
STL538484
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)Nc1ccc2c(c1)[nH]cc2)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 C32H46N2O4 MW 522.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O4/c1-18(4-9-29(38)34-21-6-5-19-11-13-33-26(19)16-21)23-7-8-24-30-25(17-28(37)32(23,24)3)31(2)12-10-22(35)14-20(31)15-27(30)36/h5-6,11,13,16,18,20,22-25,27-28,30,33,35-37H,4,7-10,12,14-15,17H2,1-3H3,(H,34,38)/t18-,20+,22-,23-,24+,25+,27-,
InChIKey
HORWUXKVOVLQCS-HKPFIBGISA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(1Hindol6yl)cholan24amide
(4~(R))~(N)(1~(H)indol6yl)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(1Hindol6yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71691923
InChI=1SC32H46N2O4c118(4929(38)3421651911133326(19)1621)2378243025(1728(37)32(2324)3)31(2)121022(35)1420(31)1527(30)36h5611131618202225272830333537H471012141517H213H3(H3438)t1820+222324+25+2728+30+31+32m1s1
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)Nc1ccc2c(c1)(nH)cc2)C)C)O)C
ZINC000072325218
ZINC72325218

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Available files

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