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(3alpha,5beta,7alpha,8xi,12alpha)-N-(2,4-dimethoxyphenyl)-3,7,12-trihydroxycholan-24-amide

Catalog ID
STL536413
SMILES COc1cc(OC)ccc1NC(=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

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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 C32H49NO6 MW 543.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49NO6/c1-18(6-11-29(37)33-25-10-7-21(38-4)16-27(25)39-5)22-8-9-23-30-24(17-28(36)32(22,23)3)31(2)13-12-20(34)14-19(31)15-26(30)35/h7,10,16,18-20,22-24,26,28,30,34-36H,6,8-9,11-15,17H2,1-5H3,(H,33,37)/t18-,19+,20-,22-,23+,24+,26-,28+,30+,31+,3
InChIKey
UHZGHFWQRWABSH-FPBQJAJTSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)N(24dimethoxyphenyl)3712trihydroxycholan24amide
(4~(R))~(N)(24dimethoxyphenyl)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(24dimethoxyphenyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
56723763
COc1cc(OC)ccc1NC(=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
InChI=1SC32H49NO6c118(61129(37)332510721(384)1627(25)395)2289233024(1728(36)32(2223)3)31(2)131220(34)1419(31)1526(30)35h71016182022242628303436H689111517H215H3(H3337)t1819+202223+24+2628+30+31+32m1s1
ZINC000070666311
ZINC70666311

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Available files

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