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29400-42-8

29400-42-8 structural image
Product Name: HELVOLIC ACID FROM CEPHALOSPORIUM*CAERULENS
Formula: C33H44O8
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COMPUTED DESCRIPTORS

Molecular Weight 568.7 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 568.30361836 g/mol
Monoisotopic Mass 568.30361836 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1270
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Helvolic acid is a steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. It has a role as a mycotoxin, an antibacterial agent and a fungal metabolite. It is a steroid acid, a monocarboxylic acid, a 3-oxo-Delta(1) steroid and an acetate ester. It is a conjugate acid of a helvolate. It derives from a hydride of a dammarane.