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

Catalog ID
STL565824
SMILES CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@](C2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)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 C31H38O11 MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24?,26-,29+,30-,31+/m0/s1
InChIKey
OVMSOCFBDVBLFW-IAGPSASASA-N
Synonyms

((1S2S4S7R9S10S12R15S)412diacetyloxy1915trihydroxy10141717tetramethyl11oxo6oxatetracyclo(11310310047)heptadec13en2yl)benzoate
(2alpha3xi5beta7beta10beta13alpha)410bis(acetyloxy)1713trihydroxy9oxo520epoxytax11en2ylbenzoate
(2aR4S4aS6R9S11S12S12bS)12(benzoyloxy)4911trihydroxy4a81313tetramethyl5oxo2a344a56910111212a12bdodecahydro1H711methanocyclodeca(34)benzo(12b)oxete612bdiyldiacetate
2733529
CC(=O)O(C@H)1C(=O)(C@)2(C)(C@@H)(O)C(C@@H)3(C@)(C2(C@@H)((C@)2(C(C1=C(C)(C@@H)(O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
InChI=1SC31H38O11c11519(34)1331(38)26(4127(37)18108791118)2429(620(35)122130(24143921)4217(3)33)25(36)23(4016(2)32)22(15)28(314)5h7111921232426343538H1214H216H3t192021+23+24?2629+3031+m0s1
ZINC000004102268
ZINC000004262477

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Available files

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