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(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-(2-phenylmorpholin-4-yl)cholan-24-one

Catalog ID
STL538377
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)N1CCOC(C1)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 C34H51NO5 MW 553.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51NO5/c1-21(9-12-31(39)35-15-16-40-29(20-35)22-7-5-4-6-8-22)25-10-11-26-32-27(19-30(38)34(25,26)3)33(2)14-13-24(36)17-23(33)18-28(32)37/h4-8,21,23-30,32,36-38H,9-20H2,1-3H3/t21-,23+,24-,25-,26+,27+,28-,29?,30+,32+,33+,34-/m1/s1
InChIKey
MZVGQAHOHUARLT-MQUAEFDPSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)3712trihydroxy24(2phenylmorpholin4yl)cholan24one
(4~(R))1(2phenylmorpholin4yl)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
(4R)1(2phenylmorpholino)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71691903
InChI=1SC34H51NO5c121(91231(39)3515164029(2035)227546822)251011263227(1930(38)34(2526)3)33(2)141324(36)1723(33)1828(32)37h48212330323638H920H213H3t2123+242526+27+2829?30+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)N1CCOC(C1)c1ccccc1)C)C)O)C
ZINC000072325167
ZINC000072325168

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Available files

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