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[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate

[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate structure

CAS No:
87798-74-1
Formula:
C21H24O7
Chemical Name:
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
Synonyms:
Alkannin-beta-hydroxyisovalerate;7415-78-3;87798-74-1;NSC 373954;MXANJRGHSFELEJ-UHFFFAOYSA-;Alkannin-.beta.-hydroxyisovalerate;BCP34280;NSC110263;NSC373954;AKOS037515319;NSC-110263;NSC-373954;3'-Hydroxyisovalerylshikonin; (c)micro-Hydroxyisovalerylshikonin

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[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate Basic Attributes

Molecular Weight：

388.4 g/mol

Exact Mass：

388.15220310 g/mol

NSC Number：

373954|110263

Characteristics

PSA：

121 Å²

Computed Properties

Molecular Weight:388.4
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:388.15220310
Monoisotopic Mass:388.15220310
Topological Polar Surface Area:121
Heavy Atom Count:28
Complexity:700
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate

Basic Attributes
Characteristics
Computed Properties
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