ISOTENULIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O5
Molecular Weight	306.3536
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOTENULIN

Structure Search

SMILES

C[C@@H]1[C@@H]2[C@H](C[C@@H](C)C3C=CC(=O)[C@@]3(C)[C@@H]2OC(C)=O)OC1=O

InChI

InChIKey=NEIIKBWBBCJSQU-DGIONXRUSA-N

InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11?,12+,14-,15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O5
Molecular Weight	306.3536
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:40:37 GMT 2025` Edited by `admin` on `Mon Mar 31 22:40:37 GMT 2025`
Record UNII	MPG8EK9VMN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOTENULIN

Common Name

English

NSC-85247

Preferred Name

English

Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R,3aR,4R,4aR,7aR,8R,9aS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MPG8EK9VMN

Created by admin on Mon Mar 31 22:40:37 GMT 2025 , Edited by admin on Mon Mar 31 22:40:37 GMT 2025

PRIMARY

CAS

10092-04-3

Created by admin on Mon Mar 31 22:40:37 GMT 2025 , Edited by admin on Mon Mar 31 22:40:37 GMT 2025

PRIMARY

NSC

85247

Created by admin on Mon Mar 31 22:40:37 GMT 2025 , Edited by admin on Mon Mar 31 22:40:37 GMT 2025

PRIMARY

EPA CompTox

DTXSID401318349

Created by admin on Mon Mar 31 22:40:37 GMT 2025 , Edited by admin on Mon Mar 31 22:40:37 GMT 2025

PRIMARY

PUBCHEM

73482

Created by admin on Mon Mar 31 22:40:37 GMT 2025 , Edited by admin on Mon Mar 31 22:40:37 GMT 2025

PRIMARY

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