| Catalog Number |
ACM1261254561-1 |
| CAS |
1261254-56-1 |
| Structure |
 |
| Synonyms |
(5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-{[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (2H5)benzoate |
| IUPAC Name |
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2,3,4,5,6-pentadeuteriobenzoate |
| Molecular Weight |
858.94 |
| Molecular Formula |
C47H46D5NO14 |
| Canonical SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)C)OC(=O)C)C)[2H])[2H] |
| InChI |
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1/i9D,14D,15D,20D,21D |
| InChI Key |
RCINICONZNJXQF-IRNQFUICSA-N |
| Appearance |
White to off-white solid |
| Storage |
4 °C |
| Shipping |
Room temperature |
| CAS (Unlabeled) |
33069-62-4 |
