 Home > Encyclopedia > (3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one

(3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one

(3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one structure

CAS No:
19683-98-8
Formula:
C16H24O5
Chemical Name:
(3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one
Synonyms:
1-Oxaspiro[2.5]octan-6-one,4-hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-,(3S,4R,5S)-;1-Oxaspiro[2.5]octan-6-one,4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methoxy-,(1S,2R,3S,4R,5S)-(-)-;1-Oxaspiro[2.5]octan-6-one,4-hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-,[3S-[3α,4β,4(2R*,3S*),5β]]-;1-Oxaspiro[2.5]octan-6-one,4-hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-,(3S,4R,5S)-;(3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one;Graphinone;Ovalicin;(-)-Ovalicin;11051-50-6;11055-08-6
Categories:
Cosmetic Ingredient > Anti-seborrheic

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Description

Graphinone is a member of cyclohexanones.

(3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one Basic Attributes

Molecular Weight：

296.35900

Exact Mass：

296.36

Characteristics

PSA：

71.59000

XLogP3：

1.37820

Density：

1.21g/cm3

Melting Point：

94-95 °C

Boiling Point：

447.5ºC at 760mmHg

Flash Point：

161.7ºC

Refractive Index：

1.538

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

ovalicin

Computed Properties

Molecular Weight:296.36
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:296.16237386
Monoisotopic Mass:296.16237386
Topological Polar Surface Area:71.6
Heavy Atom Count:21
Complexity:497
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,4R,5S)-4-Hydroxy-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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