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(3xi,5beta,7beta,9alpha,10beta,13alpha)-4,10,13-tris(acetyloxy)-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate

Catalog ID
STL565837
SMILES CC(=O)O[C@H]1C[C@@]2(O)C(OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)O)C)O)OC(=O)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 C33H42O12 MW 630.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26?,27-,28?,31+,32-,33+/m0/s1
InChIKey
WPPPFZJNKLMYBW-IEZONVIISA-N
Synonyms

((1S4S7R9S10S11R12R15S)41215triacetyloxy1911trihydroxy10141717tetramethyl6oxatetracyclo(11310310047)heptadec13en2yl)benzoate
(2aR4S4aS5R6R9S11S12bS)12(benzoyloxy)4511trihydroxy4a81313tetramethyl2a344a56910111212a12bdodecahydro1H711methanocyclodeca(34)benzo(12b)oxete6912btriyltriacetate
(3xi5beta7beta9alpha10beta13alpha)41013tris(acetyloxy)179trihydroxy520epoxytax11en2ylbenzoate
51052194
CC(=O)O(C@H)1C(C@@)2(O)C(OC(=O)c3ccccc3)C3(C@@)4(CO(C@@H)4C(C@@H)((C@)3((C@H)((C@@H)(C(=C1C)C2(C)C)OC(=O)C)O)C)O)OC(=O)C
InChI=1SC33H42O12c11621(4217(2)34)1433(40)28(4429(39)201198101220)2631(722(37)132332(26154123)4519(4)36)27(38)25(4318(3)35)24(16)30(335)6h81221232528373840H1315H217H3t212223+25+26?2728?31+3233+m0s1
ZINC000026400996
ZINC000070666088

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Available files

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