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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 [(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

Catalog ID
STL525537
SMILES CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1cc2oc(=O)cc(c2cc1Cl)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 C45H57ClO5 MW 713.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H57ClO5/c1-28(2)10-9-11-29(3)31-14-17-37-34-16-15-32-22-33(18-21-45(32,5)38(34)19-20-44(37,4)26-31)50-43(48)27-49-41-25-40-36(23-39(41)46)35(24-42(47)51-40)30-12-7-6-8-13-30/h6-8,12-13,15,23-25,28-29,31,33-34,37-38H,9-11,14,16-22,26-27H2,1-5H3
InChIKey
XTMLICIYPNABCR-ATIZZTFBSA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(6chloro2oxo4phenylchromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((6chloro2oxo4phenyl2Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((6chloro2oxo4phenyl2Hchromen7yl)oxy)acetate
16395782
CC(CCCC(C1CCC2(C@)(C1)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)C)C
InChI=1SC45H57ClO5c128(2)1091129(3)31141737341615322233(182145(325)38(34)192044(374)2631)5043(48)274941254036(2339(41)46)35(2442(47)5140)30127681330h68121315232528293133343738H9111416222627H215H3t29?31?33?34?37?38?4445+m1s1
MFCD01546351
ZINC000085867559
ZINC000253387832

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Available files

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