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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-[4-(2-methoxyphenyl)piperazin-1-yl]cholan-24-one

Catalog ID
STL538227
SMILES COc1ccccc1N1CCN(CC1)C(=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 C35H54N2O5 MW 582.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H54N2O5/c1-22(9-12-32(41)37-17-15-36(16-18-37)28-7-5-6-8-30(28)42-4)25-10-11-26-33-27(21-31(40)35(25,26)3)34(2)14-13-24(38)19-23(34)20-29(33)39/h5-8,22-27,29,31,33,38-40H,9-21H2,1-4H3/t22-,23+,24-,25-,26+,27+,29-,31+,33+,34+,35-/m1/s1
InChIKey
XSYSBCYWKJQCLB-DQHNTHBESA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxy24(4(2methoxyphenyl)piperazin1yl)cholan24one
(4~(R))1(4(2methoxyphenyl)piperazin1yl)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)pentan1one
(R)1(4(2methoxyphenyl)piperazin1yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71691964
COc1ccccc1N1CCN(CC1)C(=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=1SC35H54N2O5c122(91232(41)37171536(161837)28756830(28)424)251011263327(2131(40)35(2526)3)34(2)141324(38)1923(34)2029(33)39h5822272931333840H921H214H3t2223+242526+27+2931+33+34+35m1s1
ZINC000079188246
ZINC79188246

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Available files

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