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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-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL524454
SMILES COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)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 C47H62O7 MW 739.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H62O7/c1-29(2)10-8-11-30(3)32-14-19-40-38-17-15-33-24-37(20-23-47(33,6)41(38)21-22-46(40,5)27-32)53-43(48)28-51-35-16-18-39-42(26-35)52-31(4)45(44(39)49)54-36-13-9-12-34(25-36)50-7/h9,12-13,15-16,18,25-26,29-30,32,37-38,40-41H,8,10-11,14,17,19
InChIKey
XUAMMKBDZNGKCV-FXYJVKNESA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(3(3methoxyphenoxy)2methyl4oxochromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((3(3methoxyphenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((3(3methoxyphenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
16405729
COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C
InChI=1SC47H62O7c129(2)1081130(3)32141940381715332437(202347(336)41(38)212246(405)2732)5343(48)28513516183942(2635)5231(4)45(44(39)49)54361391234(2536)507h91213151618252629303237384041H81011141719242728H217H3t30?32?37?38?40?41?4647+m1s1
MFCD01545751
ZINC000252695285
ZINC000252695288

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Available files

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