SPECTINABILIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31NO6
Molecular Weight	477.5488
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C(=O)C(C)=C(O1)[C@H]2C\C(CO2)=C\C(C)=C\C(C)=C\C(C)=C\C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=IZICQJAGBLBAMJ-QDYRYYKCSA-N

InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14-/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H31NO6
Molecular Weight	477.5488
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:13:46 GMT 2025` Edited by `admin` on `Tue Apr 01 20:13:46 GMT 2025`
Record UNII	NH93BW6NAQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPECTINABILIN

Common Name

English

NSC-260179

Preferred Name

English

(+)-SPECTINABILIN

Common Name

English

SPECTINABILINE

Common Name

English

2-METHOXY-3,5-DIMETHYL-6-((2R,4Z)-TETRAHYDRO-4-((2E,4E,6E)-2,4,6-TRIMETHYL-7-(4-NITROPHENYL)-2,4,6-HEPTATRIEN-1-YLIDENE)-2-FURANYL)-4H-PYRAN-4-ONE

Systematic Name

English

NEOAUREOTHIN

Common Name

English

4H-PYRAN-4-ONE, 2-METHOXY-3,5-DIMETHYL-6-((2R,4Z)-TETRAHYDRO-4-((2E,4E,6E)-2,4,6-TRIMETHYL-7-(4-NITROPHENYL)-2,4,6-HEPTATRIEN-1-YLIDENE)-2-FURANYL)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Spectinabilin