AURASPERONE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H30O12
Molecular Weight	606.5734
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(OC)C=C5C=C6OC(C)(O)CC(=O)C6=C(O)C5=C4OC

InChI

InChIKey=VIFQAHKDYKZMMS-UHFFFAOYSA-N

InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C32H30O12
Molecular Weight	606.5734
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	C0NK50O4Q6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AURASPERONE B

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40961904