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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-(4-phenylpiperazin-1-yl)cholan-24-one

Catalog ID
STL538476
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)N1CCN(CC1)c1ccccc1)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 C34H52N2O4 MW 552.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H52N2O4/c1-22(9-12-31(40)36-17-15-35(16-18-36)24-7-5-4-6-8-24)26-10-11-27-32-28(21-30(39)34(26,27)3)33(2)14-13-25(37)19-23(33)20-29(32)38/h4-8,22-23,25-30,32,37-39H,9-21H2,1-3H3/t22-,23+,25-,26-,27+,28+,29-,30+,32+,33+,34-/m1/s1
InChIKey
JLQBWCKTVPAKCJ-FWSIYKFJSA-N
Synonyms
1431621-86-1
(3alpha5beta7alpha8xi12alpha)3712trihydroxy24(4phenylpiperazin1yl)cholan24one
(4~(R))1(4phenylpiperazin1yl)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(4phenylpiperazin1yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
1431621861
71692273
InChI=1SC34H52N2O4c122(91231(40)36171535(161836)247546824)261011273228(2130(39)34(2627)3)33(2)141325(37)1923(33)2029(32)38h4822232530323739H921H213H3t2223+252627+28+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)N1CCN(CC1)c1ccccc1)C)C)O)C
ZINC000072326067
ZINC72326067

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Available files

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