Epothilone B (synthetic)

About This Item

Molecular Formula	C₂₇H₄₁NO₆S
CAS Number	152044-54-7

FC-0163388

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Properties

Chemical Identifiers

IUPAC Name	(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
SMILES	CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C
InChI Key	QXRSDHAAWVKZLJ-PVYNADRNSA-N

Physical Properties

Boiling Point	680.2±55.0 °C at 760 mmHg
Melting Point	95-97ºC
Flash Point	365.2±31.5 °C
Density	1.1±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

365.2±31.5 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.