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(1R,4S,5S,7R,8R,9R,13R,16S)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane-4,7,16-triyl tribenzoate (non-preferred name)

Catalog ID
STL552891
SMILES CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@@H](CC23)[C@]12C4C[C@@H]([C@@H](C1)C(=C)[C@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1

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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 C43H45NO6 MW 671.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H45NO6/c1-4-44-25-41(3)21-20-35(49-39(46)28-16-10-6-11-17-28)43-33(41)22-31(36(43)44)42-24-30(26(2)37(42)50-40(47)29-18-12-7-13-19-29)32(23-34(42)43)48-38(45)27-14-8-5-9-15-27/h5-19,30-37H,2,4,20-25H2,1,3H3/t30-,31-,32-,33?,34?,35-,36+,37+,41-
InChIKey
HGFMWFUVPKFOMU-DWGFLOILSA-N
Synonyms

((1~(R)4~(S)5~(S)7~(R)8~(R)9~(R)10~(R)13~(R)16~(S))47dibenzoyloxy11ethyl13methyl6methylidene11azahexacyclo(7721^(58)0^(110)0^(28)0^(1317))nonadecan16yl)benzoate
(1R4S5S7R8R9R13R16S)11ethyl13methyl6methylidene11azahexacyclo(7721~58~0~110~0~28~0~1317~)nonadecane4716triyltribenzoate(nonpreferredname)
(3R6S6aR8S9S11R11aR12R14R)1ethyl3methyl10methylenetetradecahydro36a12(epiethane(112)triyl)911amethanoazuleno(21b)azocine6811triyltribenzoate
135640860
CCN1C(C@)2(C)CC(C@@H)((C@)34(C@H)1(C@H)(C(C@H)23)(C@)12C4C(C@@H)((C@@H)(C1)C(=C)(C@H)2OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChI=1SC43H45NO6c14442541(3)212035(4939(46)2816106111728)4333(41)2231(36(43)44)422430(26(2)37(42)5040(47)2918127131929)32(2334(42)43)4838(45)27148591527h5193037H242025H213H3t30313233?34?3536+37+414243m0s1
ZINC001772493103
ZINC001772493104

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Available files

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