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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[1-(2-methylpropyl)-1H-indol-4-yl]cholan-24-amide

Catalog ID
STL538722
SMILES CC(Cn1ccc2c1cccc2NC(=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)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 C36H54N2O4 MW 578.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54N2O4/c1-21(2)20-38-16-14-25-29(7-6-8-30(25)38)37-33(42)12-9-22(3)26-10-11-27-34-28(19-32(41)36(26,27)5)35(4)15-13-24(39)17-23(35)18-31(34)40/h6-8,14,16,21-24,26-28,31-32,34,39-41H,9-13,15,17-20H2,1-5H3,(H,37,42)/t22-,23+,24-,26-,27+,28+,31-
InChIKey
KZBRZRBWLZLZBR-RFYYZZKUSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(1(2methylpropyl)1Hindol4yl)cholan24amide
(4~(R))~(N)(1(2methylpropyl)indol4yl)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(1isobutyl1Hindol4yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692184
CC(Cn1ccc2c1cccc2NC(=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)C
InChI=1SC36H54N2O4c121(2)203816142529(76830(25)38)3733(42)12922(3)261011273428(1932(41)36(2627)5)35(4)151324(39)1723(35)1831(34)40h681416212426283132343941H913151720H215H3(H3742)t2223+242627+28+3132+34+35+36m1s1
ZINC000079188255
ZINC79188255

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Available files

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