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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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL525133
SMILES CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)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 C49H64O7 MW 765.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H64O7/c1-30(2)9-7-10-31(3)34-11-17-40-38-15-13-35-26-37(19-22-49(35,6)41(38)20-21-48(40,5)28-34)56-45(50)29-54-36-14-16-39-43(27-36)55-32(4)46(47(39)51)33-12-18-42-44(25-33)53-24-8-23-52-42/h12-14,16,18,25,27,30-31,34,37-38,40-41H,7-11,15,17,1
InChIKey
NIRILJPLVKOJKG-SFLMRGQMSA-N
Synonyms

((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(3(34dihydro2~(H)15benzodioxepin7yl)2methyl4oxochromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)acetate
16395599
CC(CCCC(C1CCC2(C@)(C1)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)C
InChI=1SC49H64O7c130(2)971031(3)34111740381513352637(192249(356)41(38)202148(405)2834)5645(50)29543614163943(2736)5532(4)46(47(39)51)3312184244(2533)53248235242h12141618252730313437384041H71115171924262829H216H3t31?34?37?38?40?41?4849+m1s1
MFCD01545628
ZINC000253387774
ZINC000253387777

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Available files

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