7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
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![7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5d6e2ce6b58641f49cb9565e11582910.png "7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one")
7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
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CAS No:
81729-14-8
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Formula:
C26H34O6
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Chemical Name:
7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
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Synonyms:
2H-1-Benzopyran-2-one,7-[[(1R,4aR,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-;2H-1-Benzopyran-2-one,7-[(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methoxy]-6,8-dimethoxy-,[1R-(1α,4aα,6α,8aβ)]-;7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one;Pectachol;96320-83-1
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CAS No:
7-[[(1R,4aR,6R,8aS)-Decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one Basic Attributes
442.5 g/mol
442.54
Computed Properties
Molecular Weight:442.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:442.23553880
Monoisotopic Mass:442.23553880
Topological Polar Surface Area:74.2
Heavy Atom Count:32
Complexity:759
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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