13-epi-14Beta-Hydroxy-10-deacetyl Baccatin III
Product Specifications
CAS Number
145533-34-2
Synonyms
(2aR,4S,4aS,6R,9S,10S,11R,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,10,11-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one;
Hazard Statement
No Data Available
Smiles
O[C@H](C1=C(C)[C@H](O)[C@H](O)[C@]([C@@H](OC(C2=CC=CC=C2)=O)[C@@]3([H])[C@@]4(C)[C@@H](O)C[C@@H]5[C@@]3(OC(C)=O)CO5)(O)C1(C)C)C4=O
Molecular Formula
C29H36O11
Molecular Weight
560.59
InChI
InChI=1S/C29H36O11/c1-13-18-20(33)22(34)27(5)16(31)11-17-28(12-38-17,40-14(2)30)21(27)24(39-25(36)15-9-7-6-8-10-15)29(37,26(18,3)4)23(35)19(13)32/h6-10,16-17,19-21,23-24,31-33,35,37H,11-12H2,1-5H3/t16-,17+,19-,20+,21-,23-,24-,27?,28-,29+/m0/s1
Additionnal Information
IUPAC name: (2aR,4S,4aS,6R,9S,10S,11R,12S,12aR,12bS)-12b-acetoxy-4,6,9,10,11-pentahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C
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