Enzymes, com., Driselase

C₆₃H₇₈O₆S₂CAS 85186-71-6995.43 g/mol

Open in Covalent MOL file

Alkene Ketone Sulfone

Properties

Molecular formula: C₆₃H₇₈O₆S₂
Molar mass: 995.43 g/mol
Exact mass: 994.5240 Da
logP: 15.88Crippen estimate
Polar surface area: 102.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 24

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

85186-71-6

SMILES

CC(=CCCC(=CCCC(=CCC(C(=CCCC(=CCCC(=CCC(C(=CCC12C3CC(C1(C(=O)C4=CC=CC=C4C2=O)C)C=C3)C)S(=O)(=O)C5=CC=CC=C5)C)C)C)S(=O)(=O)C6=CC=CC=C6)C)C)C

InChIKey

DCOQAGJHKBSTAY-UHFFFAOYSA-N

InChI

InChI=1S/C63H78O6S2/c1-45(2)22-18-23-46(3)24-19-26-48(5)36-40-58(70(66,67)54-30-12-10-13-31-54)50(7)29-21-28-47(4)25-20-27-49(6)37-41-59(71(68,69)55-32-14-11-15-33-55)51(8)42-43-63-53-39-38-52(44-53)62(63,9)60(64)56-34-16-17-35-57(56)61(63)65/h10-17,22,24-25,29-39,42,52-53,58-59H,18-21,23,26-28,40-41,43-44H2,1-9H3

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Elsewhere

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