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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(2-methoxybenzyl)cholan-24-amide

Catalog ID
STL538710
SMILES COc1ccccc1CNC(=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 C32H49NO5 MW 527.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49NO5/c1-19(9-12-29(37)33-18-20-7-5-6-8-27(20)38-4)23-10-11-24-30-25(17-28(36)32(23,24)3)31(2)14-13-22(34)15-21(31)16-26(30)35/h5-8,19,21-26,28,30,34-36H,9-18H2,1-4H3,(H,33,37)/t19-,21+,22-,23-,24+,25+,26-,28+,30+,31+,32-/m1/s1
InChIKey
IOHJQHPEQWTSHU-GKKLROEVSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(2methoxybenzyl)cholan24amide
(4~(R))~(N)((2methoxyphenyl)methyl)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(2methoxybenzyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692223
COc1ccccc1CNC(=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=1SC32H49NO5c119(91229(37)331820756827(20)384)231011243025(1728(36)32(2324)3)31(2)141322(34)1521(31)1626(30)35h5819212628303436H918H214H3(H3337)t1921+222324+25+2628+30+31+32m1s1
ZINC000072325943
ZINC72325943

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Available files

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