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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-(3,4,5-trifluorophenyl)cholan-24-amide

Catalog ID
STL538562
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)Nc1cc(F)c(c(c1)F)F)C)C)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 C30H42F3NO4 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42F3NO4/c1-15(4-7-26(38)34-17-12-22(31)28(33)23(32)13-17)19-5-6-20-27-21(14-25(37)30(19,20)3)29(2)9-8-18(35)10-16(29)11-24(27)36/h12-13,15-16,18-21,24-25,27,35-37H,4-11,14H2,1-3H3,(H,34,38)/t15-,16+,18-,19-,20+,21+,24-,25+,27+,29+,30-/m1/s1
InChIKey
NZZGAECHKBRGCH-AJWSLGDGSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(345trifluorophenyl)cholan24amide
(4~(R))~(N)(345trifluorophenyl)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(345trifluorophenyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71754341
InChI=1SC30H42F3NO4c115(4726(38)34171222(31)28(33)23(32)1317)1956202721(1425(37)30(1920)3)29(2)9818(35)1016(29)1124(27)36h1213151618212425273537H41114H213H3(H3438)t1516+181920+21+2425+27+29+30m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@H)((C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)Nc1cc(F)c(c(c1)F)F)C)C)O)C
ZINC000079193358
ZINC79193358

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Available files

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