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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-N-[2-(1H-indol-3-yl)ethyl]cholan-24-amide

Catalog ID
STL538223
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)NCCc1c[nH]c2c1cccc2)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 C34H50N2O4 MW 550.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50N2O4/c1-20(8-11-31(40)35-15-13-21-19-36-28-7-5-4-6-24(21)28)25-9-10-26-32-27(18-30(39)34(25,26)3)33(2)14-12-23(37)16-22(33)17-29(32)38/h4-7,19-20,22-23,25-27,29-30,32,36-39H,8-18H2,1-3H3,(H,35,40)/t20-,22+,23-,25-,26+,27+,29-,30+,32+,33+,34
InChIKey
SCTPNCMIQYWHOJ-LXCBOGQWSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxyN(2(1Hindol3yl)ethyl)cholan24amide
(4~(R))~(N)(2(1~(H)indol3yl)ethyl)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(2(1Hindol3yl)ethyl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692237
InChI=1SC34H50N2O4c120(81131(40)35151321193628754624(21)28)25910263227(1830(39)34(2526)3)33(2)141223(37)1622(33)1729(32)38h471920222325272930323639H818H213H3(H3540)t2022+232526+27+2930+32+33+34m1s1
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)NCCc1c(nH)c2c1cccc2)C)C)O)C
ZINC000072325978
ZINC72325978

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Available files

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