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(4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl {[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL524562
SMILES CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Br)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 C46H59BrO6 MW 787.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H59BrO6/c1-28(2)8-7-9-29(3)31-10-19-39-37-17-11-32-24-36(20-23-46(32,6)40(37)21-22-45(39,5)26-31)52-42(48)27-50-35-16-18-38-41(25-35)51-30(4)44(43(38)49)53-34-14-12-33(47)13-15-34/h11-16,18,25,28-29,31,36-37,39-40H,7-10,17,19-24,26-27H2,1-6H3/
InChIKey
BYEKJUATVGKCCZ-YLOKXRSBSA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(3(4bromophenoxy)2methyl4oxochromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((3(4bromophenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((3(4bromophenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
16395253
CC(CCCC(C1CCC2(C@)(C1)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)Br)C)C)C
InChI=1SC46H59BrO6c128(2)87929(3)31101939371711322436(202346(326)40(37)212245(395)2631)5242(48)27503516183841(2535)5130(4)44(43(38)49)5334141233(47)131534h1116182528293136373940H7101719242627H216H3t29?31?36?37?39?40?4546+m1s1
MFCD01544283
ZINC000253387719
ZINC000253387722

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Available files

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