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(3alpha,5beta,12alpha)-N-[4-(acetylamino)phenyl]-3,12-dihydroxycholan-24-amide

Catalog ID
STL536418
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1ccc(cc1)NC(=O)C)C)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 C32H48N2O4 MW 524.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48N2O4/c1-19(5-14-30(38)34-23-9-7-22(8-10-23)33-20(2)35)26-12-13-27-25-11-6-21-17-24(36)15-16-31(21,3)28(25)18-29(37)32(26,27)4/h7-10,19,21,24-29,36-37H,5-6,11-18H2,1-4H3,(H,33,35)(H,34,38)/t19-,21-,24-,25+,26-,27+,28+,29+,31+,32-/m1/s1
InChIKey
VMGODSWUJLODNY-PEPOXBJISA-N
Synonyms

(3alpha5beta12alpha)N(4(acetylamino)phenyl)312dihydroxycholan24amide
(4~(R))~(N)(4acetamidophenyl)4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(4acetamidophenyl)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
56723744
InChI=1SC32H48N2O4c119(51430(38)34239722(81023)3320(2)35)2612132725116211724(36)151631(213)28(25)1829(37)32(2627)4h710192124293637H561118H214H3(H3335)(H3438)t19212425+2627+28+29+31+32m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1ccc(cc1)NC(=O)C)C)C)C
ZINC000070666281
ZINC70666281

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Available files

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