AURASPERONE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28O11
Molecular Weight	588.5581
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C2=C1)C4=C(OC)C5=C(C=C4OC)C=C6OC(C)(O)CC(=O)C6=C5O

InChI

InChIKey=XQLGSHUQZMPBGG-UHFFFAOYSA-N

InChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C32H28O11
Molecular Weight	588.5581
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:41:17 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:17 GMT 2025`
Record UNII	N3TET3875D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AURASPERONE E

Common Name

English

(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,3-DIHYDRO-2,5,5'-TRIHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-

Preferred Name

English

(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,3-DIHYDRO-2,5,5'-TRIHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-, (S)-

Systematic Name

English

Code System Code Type Description

CAS

71722-01-5

Created by admin on Tue Apr 01 17:41:17 GMT 2025 , Edited by admin on Tue Apr 01 17:41:17 GMT 2025

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PUBCHEM

188114

Created by admin on Tue Apr 01 17:41:17 GMT 2025 , Edited by admin on Tue Apr 01 17:41:17 GMT 2025

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FDA UNII

N3TET3875D

Created by admin on Tue Apr 01 17:41:17 GMT 2025 , Edited by admin on Tue Apr 01 17:41:17 GMT 2025

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EPA CompTox

DTXSID20992337

Created by admin on Tue Apr 01 17:41:17 GMT 2025 , Edited by admin on Tue Apr 01 17:41:17 GMT 2025

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