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(3beta)-cholest-5-en-3-yl [(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

Catalog ID
STL458253
SMILES CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)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 C44H55ClO5 MW 699.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H55ClO5/c1-27(2)10-9-11-28(3)35-16-17-36-32-15-14-30-22-31(18-20-43(30,4)37(32)19-21-44(35,36)5)49-42(47)26-48-40-25-39-34(23-38(40)45)33(24-41(46)50-39)29-12-7-6-8-13-29/h6-8,12-14,23-25,27-28,31-32,35-37H,9-11,15-22,26H2,1-5H3/t28-,31+,32+,3
InChIKey
HZOFJAVOORGTFE-SQAZNZTQSA-N
Synonyms
1029128-85-5
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(6chloro2oxo4phenylchromen7yl)oxyacetate
(3beta)cholest5en3yl((6chloro2oxo4phenyl2Hchromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((6chloro2oxo4phenyl2Hchromen7yl)oxy)acetate
1029128855
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)COC5=C(C=C6C(=CC(=O)OC6=C5)C7=CC=CC=C7)Cl)C)C
CC(CCC(C@H)((C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)C)C
InChI=1SC44H55ClO5c127(2)1091128(3)35161736321514302231(182043(304)37(32)192144(3536)5)4942(47)264840253934(2338(40)45)33(2441(46)5039)29127681329h6812142325272831323537H911152226H215H3t2831+32+3536+37+43+44m1s1
MFCD02056879
ZINC000079204177
ZINC79204177

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Available files

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