Vitexilactone
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Vitexilactone
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CAS No:
61263-49-8
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Formula:
C22H34O5
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Chemical Name:
Vitexilactone
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Synonyms:
2(5H)-Furanone,4-[2-[(1R,2R,4R,4aS,8aS)-4-(acetyloxy)decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-;2(5H)-Furanone,4-[2-[4-(acetyloxy)decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-,[1R-(1α,2α,4β,4aα,8aβ)]-;4-[2-[(1R,2R,4R,4aS,8aS)-4-(Acetyloxy)decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]-2(5H)-furanone;Vitexilactone;1314094-56-8
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CAS No:
Description
ChEBI: A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus
Vitexilactone is a labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is an acetate ester, a carbobicyclic compound, a labdane diterpenoid, a tertiary alcohol and a butenolide.
Computed Properties
Molecular Weight:378.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:378.24062418
Monoisotopic Mass:378.24062418
Topological Polar Surface Area:72.8
Heavy Atom Count:27
Complexity:651
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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