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(3beta)-cholest-5-en-3-yl [(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetate

Catalog ID
STL457784
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)COc1cc(C)cc2c1c1CCCc1c(=O)o2)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 C42H58O5 MW 642.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H58O5/c1-25(2)9-7-10-27(4)33-15-16-34-32-14-13-28-23-29(17-19-41(28,5)35(32)18-20-42(33,34)6)46-38(43)24-45-36-21-26(3)22-37-39(36)30-11-8-12-31(30)40(44)47-37/h13,21-22,25,27,29,32-35H,7-12,14-20,23-24H2,1-6H3/t27-,29+,32+,33-,34+,35+,41+,42-
InChIKey
UEGYLFVQICUMJZ-VUZPOBKHSA-N
Synonyms
1029128-92-4
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2((7methyl4oxo23dihydro1Hcyclopenta(c)chromen9yl)oxy)acetate
(3beta)cholest5en3yl((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)acetate
1029128924
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)COc1cc(C)cc2c1c1CCCc1c(=O)o2)C)C
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CCC7C(C)CCCC(C)C)C)C
InChI=1SC42H58O5c125(2)971027(4)33151634321413282329(171941(285)35(32)182042(3334)6)4638(43)2445362126(3)223739(36)301181231(30)40(44)4737h1321222527293235H71214202324H216H3t2729+32+3334+35+41+42m1s1
MFCD02057273
ZINC000079204208
ZINC79204208

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Available files

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