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(+)-Vomifoliol

(+)-Vomifoliol structure

CAS No:
23526-45-6
Formula:
C13H20O3
Chemical Name:
(+)-Vomifoliol
Synonyms:
2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-,(4S)-;2-Cyclohexen-1-one,4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-,(+)-;2-Cyclohexen-1-one,4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-,[S-[R*,S*-(E)]]-;2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-,(4S)-;(4S)-4-Hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-2-cyclohexen-1-one;Vomifoliol;Blumenol A;(+)-Vomifoliol;(+)-Blumenol A;(6S,7E,9R)-6,9-Dihydroxy-4,7-megastigmadien-3-one;Roseoside aglycon;(6S,9R)-Vomifoliol;(6S,9R)-6-Hydroxy-3-oxo-α-ionol;36151-00-5
Categories:
Natural Products > Sesquiterpene

Description

(6S,9R)-vomifoliol is a (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. It has a role as a phytotoxin and a metabolite. It is an enantiomer of a (6R,9S)-vomifoliol.

(+)-Vomifoliol Basic Attributes

Molecular Weight：

224.3

Exact Mass：

224.30

UNII：

P86438KC5J

Characteristics

PSA：

57.5

XLogP3：

1.05

Density：

1.1±0.1 g/cm3

Melting Point：

115 °C

Boiling Point：

362.3±42.0 °C at 760 mmHg

Flash Point：

187.1±24.4 °C

Refractive Index：

1.567

Vapor Pressure：

1.03E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

vomifoliol

Computed Properties

Molecular Weight:224.30
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:224.14124450
Monoisotopic Mass:224.14124450
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:352
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-Vomifoliol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

(+)-Vomifoliol

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