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

Catalog ID
STL538608
SMILES COc1cc(CNC(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)[C@@H](O)C[C@H]2[C@H]3[C@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)ccc1OC

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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 C33H51NO6 MW 557.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H51NO6/c1-19(6-11-30(38)34-18-20-7-10-27(39-4)28(14-20)40-5)23-8-9-24-31-25(17-29(37)33(23,24)3)32(2)13-12-22(35)15-21(32)16-26(31)36/h7,10,14,19,21-26,29,31,35-37H,6,8-9,11-13,15-18H2,1-5H3,(H,34,38)/t19-,21+,22-,23-,24+,25+,26-,29+,31+,32+,3
InChIKey
YGAIPXBEAHZWNC-NWQYTEARSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)N(34dimethoxybenzyl)3712trihydroxycholan24amide
(4~(R))~(N)((34dimethoxyphenyl)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(34dimethoxybenzyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692300
COc1cc(CNC(=O)CC(C@H)((C@H)2CC(C@@H)3(C@)2(C)(C@@H)(O)C(C@H)2(C@H)3(C@H)(O)C(C@H)3(C@)2(C)CC(C@H)(C3)O)C)ccc1OC
InChI=1SC33H51NO6c119(61130(38)34182071027(394)28(1420)405)2389243125(1729(37)33(2324)3)32(2)131222(35)1521(32)1626(31)36h7101419212629313537H68911131518H215H3(H3438)t1921+222324+25+2629+31+32+33m1s1
ZINC000072326132
ZINC72326132

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Available files

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