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Chemical structure of Dihydrocephalomannine

GC64105

Dihydrocephalomannine

Also known as [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

Dihydrocephalomannine (compound 1b), an analogue of Paclitaxel, shows reduced cytotoxicity and tubulin binding compared to Paclitaxel

ChemicalCAS159001-25-9MW833.92FormulaC45H55NO14
CAS number
159001-25-9
Molecular weight
833.92
Formula
C45H55NO14
InChIKey
OKEKLOJNCOIPIT-UHFFFAOYSA-N
Catalogue number
GC64105
Brand
GLPBIO
Computed properties PubChem CID 131874484 · XLogP 2.2 · TPSA 221 Ų · H-bond donors 4
XLogP
2.2
TPSA
221 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
60

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

Computed descriptors from PubChem (CID 131874484), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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