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87734-68-7

87734-68-7 structural image
Product Name: (22R,23R,24S)-3α,22,23-Trihydroxy-5α-ergostan-6-one
Formula: C28H48O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 227 - 230 °C

COMPUTED DESCRIPTORS

Molecular Weight 448.7 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 448.35526001 g/mol
Monoisotopic Mass 448.35526001 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 706
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Typhasterol is a brassinosteroid that is ergostan-6-one bearing three additional hydroxy substituents at positions 3alpha, 22R and 23R. It has a role as a plant metabolite. It is a 3alpha-sterol, a 6-oxo steroid, a 22-hydroxy steroid, a 23-hydroxy steroid, a brassinosteroid and a C28-steroid. It derives from a hydride of a 5alpha-campestane.