10-Oxo 7,8-Seco-docetaxel

Nazwa analitu

10-Oxo 7,8-Seco-docetaxel

Numer CAS

177556-02-4

Wzór cząsteczkowy

C43H53NO14

Masa cząsteczkowa

807.88

Dokładna masa

807.35

SMILES

CC(O[C@]1([C@@]2([H])[C@@H]([C@]3(C(C)(C(C(C(O)=C2C)=O)=C([C@H](C3)OC([C@H](O)[C@H](C4=CC=CC=C4)NC(OC(C)(C)C)=O)=O)C)C)O)OC(C5=CC=CC=C5)=O)[C@H](OC1)CCO)=O

InChI

InChI=1S/C43H53NO14/c1-23-28(55-38(51)35(49)32(26-15-11-9-12-16-26)44-39(52)58-40(4,5)6)21-43(53)36(56-37(50)27-17-13-10-14-18-27)31(24(2)33(47)34(48)30(23)41(43,7)8)42(57-25(3)46)22-54-29(42)19-20-45/h9-18,28-29,31-32,35-36,45,47,49,53H,19-22H2,1-8H3,(H,44,52)/t28-,29+,31+,32-,35+,36-,42-,43+/m0/s1

IUPAC

(1S,2S,3R,9S)-3-((2R,3S)-3-acetoxy-2-(2-hydroxyethyl)oxetan-3-yl)-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-1,5-dihydroxy-4,8,11,11-tetramethyl-6-oxobicyclo[5.3.1]undeca-4,7-dien-2-yl benzoate

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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