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(3alpha,5beta,7alpha,8xi,12alpha)-N-[5-(acetylamino)-2-methoxyphenyl]-3,7,12-trihydroxycholan-24-amide

Catalog ID
STL538506
SMILES COc1ccc(cc1NC(=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)NC(=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 C33H50N2O6 MW 570.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H50N2O6/c1-18(6-11-30(40)35-26-16-21(34-19(2)36)7-10-28(26)41-5)23-8-9-24-31-25(17-29(39)33(23,24)4)32(3)13-12-22(37)14-20(32)15-27(31)38/h7,10,16,18,20,22-25,27,29,31,37-39H,6,8-9,11-15,17H2,1-5H3,(H,34,36)(H,35,40)/t18-,20+,22-,23-,24+,25+,2
InChIKey
LEEUMRZQZXTZEO-OIHHQCACSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)N(5(acetylamino)2methoxyphenyl)3712trihydroxycholan24amide
(4~(R))~(N)(5acetamido2methoxyphenyl)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(5acetamido2methoxyphenyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692305
COc1ccc(cc1NC(=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)NC(=O)C
InChI=1SC33H50N2O6c118(61130(40)35261621(3419(2)36)71028(26)415)2389243125(1729(39)33(2324)4)32(3)131222(37)1420(32)1527(31)38h71016182022252729313739H689111517H215H3(H3436)(H3540)t1820+222324+25+2729+31+32+33m1s1
ZINC000072326142
ZINC72326142

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Available files

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