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(3beta)-cholest-5-en-3-yl [(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

Catalog ID
STL459462
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)COc1ccc2c(c1C)oc(=O)c(c2C)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 C41H58O5 MW 630.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H58O5/c1-24(2)10-9-11-25(3)33-15-16-34-32-13-12-29-22-30(18-20-40(29,7)35(32)19-21-41(33,34)8)45-37(42)23-44-36-17-14-31-26(4)27(5)39(43)46-38(31)28(36)6/h12,14,17,24-25,30,32-35H,9-11,13,15-16,18-23H2,1-8H3/t25-,30+,32+,33-,34+,35+,40+,41-/m1
InChIKey
XPMCJGMXUVMZGU-IRZVOKEYSA-N
Synonyms
1038864-49-1
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2(348trimethyl2oxochromen7yl)oxyacetate
(3beta)cholest5en3yl((348trimethyl2oxo2Hchromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((348trimethyl2oxo2Hchromen7yl)oxy)acetate
1038864491
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)COc1ccc2c(c1C)oc(=O)c(c2C)C)C)C
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)C
InChI=1SC41H58O5c124(2)1091125(3)33151634321312292230(182040(297)35(32)192141(3334)8)4537(42)23443617143126(4)27(5)39(43)4638(31)28(36)6h1214172425303235H9111315161823H218H3t2530+32+3334+35+40+41m1s1
MFCD02058537
ZINC000079204302
ZINC79204302

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Available files

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