7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
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Basic information
| GHS | t |
|---|---|
| Smiles | O[C@H]1C[C@]2(O)C(C)(C)C([C@@H](OC(C)=O)C([C@@]3(C)[C@@]([C@@H]2OC(C2=CC=CC=C2)=O)([H])[C@@]2(OC(C)=O)[C@@](OC2)([H])C[C@H]3O)=O)=C1C |
| 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-QZDKRUOYSA-N |
| Synonym | NSC 330753;baccatin Ⅲ;BACCATIN III;BACCATINE III;BACCATIN III 98%;Baccatine III,95%;Baccatin III >=95% (HPLC);(1S)-4α,10β-Bis(acetoxy)-2α-(benzoyloxy)-5β,20-epoxy-1,7β,13α-trihydroxytaxa-11-ene-9-one;6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one;(2aR)-6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one;巴卡丁;巴卡亭;巴卡丁三;巴卡汀III;巴卡丁 III |
| Character | |
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| Melting Point | 229-234 °C |
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| UN No. | 1544 |
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Security information
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| Water Solubility | insoluble |
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| Storage Temp. | 2-8°C |
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