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(3alpha,5beta,12alpha)-3,12-dihydroxy-N-[1-(2-methoxyethyl)-1H-indol-4-yl]cholan-24-amide

Catalog ID
STL538272
SMILES COCCn1ccc2c1cccc2NC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[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 C35H52N2O4 MW 564.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H52N2O4/c1-22(8-13-33(40)36-30-6-5-7-31-26(30)15-17-37(31)18-19-41-4)27-11-12-28-25-10-9-23-20-24(38)14-16-34(23,2)29(25)21-32(39)35(27,28)3/h5-7,15,17,22-25,27-29,32,38-39H,8-14,16,18-21H2,1-4H3,(H,36,40)/t22-,23-,24-,25+,27-,28+,29+,32+,34+,
InChIKey
GGZCSXBOAPPOPC-ICXCINATSA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(1(2methoxyethyl)1Hindol4yl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(1(2methoxyethyl)indol4yl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(1(2methoxyethyl)1Hindol4yl)pentanamide
71692004
COCCn1ccc2c1cccc2NC(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2CC(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC35H52N2O4c122(81333(40)36306573126(30)151737(31)1819414)2711122825109232024(38)141634(232)29(25)2132(39)35(2728)3h57151722252729323839H814161821H214H3(H3640)t22232425+2728+29+32+34+35m1s1
ZINC000072325413
ZINC72325413

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Available files

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