AURASPERONE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H28O12
Molecular Weight	592.5468
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC)=C2C(O)=C3C(=O)CC(C)(O)OC3=C(C2=C1)C4=C(O)C=C5C=C6OC(C)(O)CC(=O)C6=C(O)C5=C4OC

InChI

InChIKey=BAIJEJFONPISHA-UHFFFAOYSA-N

InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C31H28O12
Molecular Weight	592.5468
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:39:42 GMT 2023` Edited by `admin` on `Sat Dec 16 11:39:42 GMT 2023`
Record UNII	R0NL28355M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AURASPERONE C

Common Name

English

2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, (S)-

Systematic Name

English

(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

R0NL28355M

Created by admin on Sat Dec 16 11:39:42 GMT 2023 , Edited by admin on Sat Dec 16 11:39:42 GMT 2023

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EPA CompTox

DTXSID80961903

Created by admin on Sat Dec 16 11:39:42 GMT 2023 , Edited by admin on Sat Dec 16 11:39:42 GMT 2023

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PUBCHEM

179521

Created by admin on Sat Dec 16 11:39:42 GMT 2023 , Edited by admin on Sat Dec 16 11:39:42 GMT 2023

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CAS

41689-66-1

Created by admin on Sat Dec 16 11:39:42 GMT 2023 , Edited by admin on Sat Dec 16 11:39:42 GMT 2023

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