(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone
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![(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa47f08fd5b447248019964f3e2d70d9.png "(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone")
(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone
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CAS No:
157598-00-0
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Formula:
C15H12O5
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Chemical Name:
(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone
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Synonyms:
1(3H)-Isobenzofuranone,7-hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-,(3S)-;1(3H)-Isobenzofuranone,7-hydroxy-3-[hydroxy(4-hydroxyphenyl)methyl]-,[S-(R*,R*)]-;(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone;Hydramacrophyllol A
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CAS No:
Description
Hydramacrophyllol A is an isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (S)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica. It has a role as a plant metabolite. It is a gamma-lactone, an isobenzofuranone, a member of phenols and a secondary alcohol.
(3S)-7-Hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-1(3H)-isobenzofuranone Basic Attributes
272.25300
272.25
DTXSID50166286
Computed Properties
Molecular Weight:272.25
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:272.06847348
Monoisotopic Mass:272.06847348
Topological Polar Surface Area:87
Heavy Atom Count:20
Complexity:363
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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