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6,9a-dimethyl-2-(3-methylphenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid

Catalog ID
STL558064
SMILES Cc1cccc(c1)N1C(=O)C2C(C1=O)C13CCC4C(C3CC2C(=C1)C(C)C)(C)CCCC4(C)C(=O)O

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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 C31H39NO4 MW 489.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39NO4/c1-17(2)21-16-31-13-10-22-29(4,11-7-12-30(22,5)28(35)36)23(31)15-20(21)24-25(31)27(34)32(26(24)33)19-9-6-8-18(3)14-19/h6,8-9,14,16-17,20,22-25H,7,10-13,15H2,1-5H3,(H,35,36)
InChIKey
MRRXYEYSIFOGFP-UHFFFAOYSA-N
Synonyms

(3aR6R9aR11aR)12isopropyl69adimethyl13dioxo2(mtolyl)1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
12ISOPROPYL69ADIMETHYL2(3METHYLPHENYL)13DIOXOHEXADECAHYDRO3B11ETHENONAPHTHO(21E)ISOINDOLE6CARBOXYLICACID
2884515
59dimethyl15(3methylphenyl)1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
69adimethyl2(3methylphenyl)13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
Cc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
InChI=1SC31H39NO4c117(2)21163113102229(41171230(225)28(35)36)23(31)1520(21)2425(31)27(34)32(26(24)33)1996818(3)1419h689141617202225H7101315H215H3(H3536)
MFCD02085311
ZINC000239347304
ZINC000239347307

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Available files

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