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3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

Catalog ID
STL551870
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C36H43ClN2O9 MW 683.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43ClN2O9/c1-19-14-25(41)30(34(43)36(19)35(44)31-27(46-3)17-28(47-4)32(37)33(31)48-36)22(20-10-11-24(40)26(15-20)45-2)16-29(42)38-18-21-8-7-13-39-12-6-5-9-23(21)39/h10-11,15,17,19,21-23,40,43H,5-9,12-14,16,18H2,1-4H3,(H,38,42)/t19-,21+,22?,23-
InChIKey
MLENNGHSIKYQRU-LDBHOEFSSA-N
Synonyms

~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352090
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N((1S9AR)OCTAHYDRO2HQUINOLIZIN1YLMETHYL)PROPANA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC36H43ClN2O9c1191425(41)30(34(43)36(19)35(44)3127(463)1728(474)32(37)33(31)4836)22(20101124(40)26(1520)452)1629(42)3818218713391265923(21)39h101115171921234043H5912141618H214H3(H3842)t1921+22?2336+m1s1
ZINC000824596113
ZINC000824596118

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Available files

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