IPOMEAMARONE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O3
Molecular Weight	250.3334
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IPOMEAMARONE

Structure Search

SMILES

CC(C)CC(=O)C[C@]1(C)CC[C@@H](O1)C2=COC=C2

InChI

InChIKey=WOFDWNOSFDVCDF-CABCVRRESA-N

InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O3
Molecular Weight	250.3334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:48 GMT 2025`
Record UNII	YMF39VPK7M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IPOMEAMARONE

Common Name

English

NSC-256944

Preferred Name

English

(+)-Ipomeamarone

Common Name

English

2-Pentanone, 4-methyl-1-[(2R,5S)-2,3,4,5-tetrahydro-5-methyl[2,3?-bifuran]-5-yl]-

Systematic Name

English

(+)-Ngaione

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701135962

Created by admin on Mon Mar 31 22:56:48 GMT 2025 , Edited by admin on Mon Mar 31 22:56:48 GMT 2025

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CAS

494-23-5

Created by admin on Mon Mar 31 22:56:48 GMT 2025 , Edited by admin on Mon Mar 31 22:56:48 GMT 2025

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NSC

256944

Created by admin on Mon Mar 31 22:56:48 GMT 2025 , Edited by admin on Mon Mar 31 22:56:48 GMT 2025

PRIMARY

PUBCHEM

442379

Created by admin on Mon Mar 31 22:56:48 GMT 2025 , Edited by admin on Mon Mar 31 22:56:48 GMT 2025

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FDA UNII

YMF39VPK7M

Created by admin on Mon Mar 31 22:56:48 GMT 2025 , Edited by admin on Mon Mar 31 22:56:48 GMT 2025

PRIMARY