CC(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

الاسم: 9-deoxotaxol

IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12S,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

SMILES:

CC(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Canonical SMILES:

CC1=C2C(CC3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

الصيغة الجزيئية: C47H53NO13

الوزن الجزيئي: 839.90

InChIKey: LOJUCJWPZFPDKC-IIWWBOLVSA-N

InChI:

InChI=1S/C47H53NO13/c1-26-32(59-43(55)38(52)37(29-16-10-7-11-17-29)48-41(53)30-18-12-8-13-19-30)24-47(56)40(60-42(54)31-20-14-9-15-21-31)39-45(6,23-33(58-27(2)49)36(26)44(47,4)5)34(51)22-35-46(39,25-57-35)61-28(3)50/h7-21,32-35,37-40,51-52,56H,22-25H2,1-6H3,(H,48,53)/t32-,33-,34-,35+,37-,38+,39-,40-,45+,46-,47+/m0/s1

PubChem CID: 9875915 →

مرادفات

9-DeoxotaxolSCHEMBL29381577LOJUCJWPZFPDKC-IIWWBOLVSA-N

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