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(3alpha,5beta,12alpha)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,12-dihydroxycholan-24-amide

Catalog ID
STL538556
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCc1c[nH]c2c1cc(Cl)cc2)C)C)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 C34H49ClN2O3 MW 569.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H49ClN2O3/c1-20(4-11-32(40)36-15-13-21-19-37-30-10-6-23(35)17-26(21)30)27-8-9-28-25-7-5-22-16-24(38)12-14-33(22,2)29(25)18-31(39)34(27,28)3/h6,10,17,19-20,22,24-25,27-29,31,37-39H,4-5,7-9,11-16,18H2,1-3H3,(H,36,40)/t20-,22-,24-,25+,27-,28+,29+
InChIKey
PTNHAYAXDAXDHY-BOCSTNQWSA-N
Synonyms

(3alpha5beta12alpha)N(2(5chloro1Hindol3yl)ethyl)312dihydroxycholan24amide
(4~(R))~(N)(2(5chloro1~(H)indol3yl)ethyl)4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(2(5chloro1Hindol3yl)ethyl)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71692267
InChI=1SC34H49ClN2O3c120(41132(40)3615132119373010623(35)1726(21)30)2789282575221624(38)121433(222)29(25)1831(39)34(2728)3h6101719202224252729313739H4579111618H213H3(H3640)t20222425+2728+29+31+33+34m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)NCCc1c(nH)c2c1cc(Cl)cc2)C)C)C
ZINC000072326049
ZINC72326049

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Available files

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