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71247-78-4

71247-78-4 structural image
Product Name: salaspermic acid
Formula: C30H48O4
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COMPUTED DESCRIPTORS

Molecular Weight 472.7 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 472.35526001 g/mol
Monoisotopic Mass 472.35526001 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 918
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
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

Salaspermic acid is a hexacyclic triterpenoid that is D:A-friedooleanan-29-oic acid substituted by a hydroxy group at position 3 and an epoxy group across positions 3 and 24 (the (3beta,20alpha stereoisomer). Isolated from Salacia macrosperma and Tripterygium wilfordii, it exhibits anti-HIV activity. It has a role as a metabolite and a HIV-1 reverse transcriptase inhibitor. It is a hexacyclic triterpenoid, a hydroxy monocarboxylic acid and a cyclic hemiketal. It derives from a hydride of a friedelane.