PHASEOLINONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O5
Molecular Weight	280.3163
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)[C@@]4(CO)CO4

InChI

InChIKey=DDKJQSAECJSUNP-OCZRQZLOSA-N

InChI=1S/C15H20O5/c1-8-10(17)4-3-9-5-11(18)15(14(6-16)7-19-14)12(20-15)13(8,9)2/h5,8,10,12,16-17H,3-4,6-7H2,1-2H3/t8-,10+,12+,13+,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O5
Molecular Weight	280.3163
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:41 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:41 GMT 2025`
Record UNII	OI28985TOJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-PHASEOLINONE

Preferred Name

English

PHASEOLINONE

Common Name

English

NAPHTH(1,2-B)OXIREN-2(1AH)-ONE, 4,5,6,7,7A,7B-HEXAHYDRO-6-HYDROXY-1A-((2R)-2-(HYDROXYMETHYL)OXIRANYL)-7,7A-DIMETHYL-, (1AS,6R,7R,7AR,7BR)-

Systematic Name

English

PHASEOLINONE, (+)-

Systematic Name

English

(1AS,6R,7R,7AR,7BR)-4,5,6,7,7A,7B-HEXAHYDRO-6-HYDROXY-1A-((2R)-2-(HYDROXYMETHYL)OXIRANYL)-7,7A-DIMETHYLNAPHTH(1,2-B)OXIREN-2(1AH)-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901005947

Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025

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FDA UNII

OI28985TOJ

Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025

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CAS

85431-61-4

Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025

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PUBCHEM

114980

Created by admin on Mon Mar 31 21:54:41 GMT 2025 , Edited by admin on Mon Mar 31 21:54:41 GMT 2025

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