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(3beta)-cholest-5-en-3-yl [(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate

Catalog ID
STL459704
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)c1c2CCC1)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)9-7-10-26(3)34-16-17-35-33-14-13-28-23-29(19-21-41(28,5)36(33)20-22-42(34,35)6)46-38(43)24-45-37-18-15-31-30-11-8-12-32(30)40(44)47-39(31)27(37)4/h13,15,18,25-26,29,33-36H,7-12,14,16-17,19-24H2,1-6H3/t26-,29+,33+,34-,35+,36+,41+,
InChIKey
RBHZINJICYVUGE-LNIXDMHVSA-N
Synonyms
1029128-84-4
((3S8S9S10R13R14S17R)1013dimethyl17((2R)6methylheptan2yl)234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)2((6methyl4oxo23dihydro1Hcyclopenta(c)chromen7yl)oxy)acetate
(3beta)cholest5en3yl((6methyl4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
(3S8S9S10R13R14S17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2((6methyl4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetate
1029128844
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)c1c2CCC1)C)C
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CCC7C(C)CCCC(C)C)C)C
InChI=1SC42H58O5c125(2)971026(3)34161735331413282329(192141(285)36(33)202242(3435)6)4638(43)244537181531301181232(30)40(44)4739(31)27(37)4h1315182526293336H7121416171924H216H3t2629+33+3435+36+41+42m1s1
MFCD02056853
ZINC000079204169
ZINC79204169

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Available files

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