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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 [(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate

Catalog ID
STL524677
SMILES CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)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 C45H58O6 MW 694.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H58O6/c1-28(2)10-9-11-29(3)31-14-17-36-35-16-15-32-22-33(18-21-45(32,5)37(35)19-20-44(36,4)26-31)50-42(48)27-49-34-23-38(46)43-39(47)25-40(51-41(43)24-34)30-12-7-6-8-13-30/h6-8,12-13,15,23-25,28-29,31,33,35-37,46H,9-11,14,16-22,26-27H2,1-5H3/t
InChIKey
TVGNSDOGCLLGGR-DRDKXIGQSA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(5hydroxy4oxo2phenylchromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((5hydroxy4oxo2phenyl4Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((5hydroxy4oxo2phenyl4Hchromen7yl)oxy)acetate
16396018
CC(CCCC(C1CCC2(C@)(C1)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)C)C
InChI=1SC45H58O6c128(2)1091129(3)31141736351615322233(182145(325)37(35)192044(364)2631)5042(48)2749342338(46)4339(47)2540(5141(43)2434)30127681330h68121315232528293133353746H9111416222627H215H3t29?31?33?35?36?37?4445+m1s1
MFCD01547361
ZINC000079183230
ZINC000253387808

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Available files

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