Product Name :
Dihydrocephalomannine
Specifications & Purity :
98%
CAS :
159001-25-9
Formula:
C45H55NO14
Molecular Weight :
833.92
MDL number:
Synonyms :
N-Debenzoyl-N-[(2S)-2-methylbutanoyl]paclitaxel；N-Debenzoyl-N-α-methylbutyrylpaclitaxel;Paclitaxel impurity R (PhEur)；7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete Benzenepropanoic Acid Derivative; Paclitaxel- Impurity R
Shipped In:
Dry ice
IUPAC Name :
[(1S,4S,10S)-4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
INCHI :
InChI=1S/C45H55NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h10-19,23,29-31,33-36,38,49-50,55H,9,20-22H2,1-8H3,(H,46,52)/t23?,29?,30?,31?,33?,34?,35?,36?,38?,43-,44+,45-/m1/s1
InChi Key:
OKEKLOJNCOIPIT-FJLPVWCPSA-N
Canonical SMILES:
CCC(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
Isomeric SMILES:
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