Analytenname

2'-O-Benzoylpaclitaxel

CAS-Nummer

158948-97-1

Molekularformel

C54 H55 N O15

Molekulargewicht

958.012

Genaue Masse

957.357

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)c6ccccc6)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C1C5(C)C)C

InChI

InChI=1S/C54H55NO15/c1-30-37(67-50(63)43(68-48(61)35-23-15-9-16-24-35)41(33-19-11-7-12-20-33)55-47(60)34-21-13-8-14-22-34)28-54(64)46(69-49(62)36-25-17-10-18-26-36)44-52(6,38(58)27-39-53(44,29-65-39)70-32(3)57)45(59)42(66-31(2)56)40(30)51(54,4)5/h7-26,37-39,41-44,46,58,64H,27-29H2,1-6H3,(H,55,60)/t37-,38-,39+,41-,42+,43+,44-,46-,52+,53-,54+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-benzoyloxy-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] benzoate

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Bioactive Small Molecule

Produktformat

Neat