HALENAQUINONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H12O5
Molecular Weight	332.3063
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]12CCC(=O)C3=COC(=C13)C(=O)C4=CC5=C(C=C24)C(=O)C=CC5=O

InChI

InChIKey=SMGBXXZKAPMTBB-FQEVSTJZSA-N

InChI=1S/C20H12O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H12O5
Molecular Weight	332.3063
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:06:29 GMT 2023` Edited by `admin` on `Sat Dec 16 16:06:29 GMT 2023`
Record UNII	X57WT4EJ87
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HALENAQUINONE

Common Name

English

(12BS)-12B-METHYL-1H-BENZO(6,7)PHENANTHRO(10,1-BC)FURAN-3,6,8,11(2H,12BH)-TETRONE

Systematic Name

English

1H-BENZO(6,7)PHENANTHRO(10,1-BC)FURAN-3,6,8,11(2H,12BH)-TETRONE, 12B-METHYL-, (12BS)-

Systematic Name

English

(+)-HALENAQUINONE

Common Name

English

(1S)-1-METHYL-14-OXAPENTACYCLO(11.6.1.02,11.04,9.016,20)ICOSA-2,4(9),6,10,13(20),15-HEXAENE-5,8,12,17-TETRONE

Systematic Name

English

Code System Code Type Description

FDA UNII

X57WT4EJ87

Created by admin on Sat Dec 16 16:06:29 GMT 2023 , Edited by admin on Sat Dec 16 16:06:29 GMT 2023

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EPA CompTox

DTXSID50235769

Created by admin on Sat Dec 16 16:06:29 GMT 2023 , Edited by admin on Sat Dec 16 16:06:29 GMT 2023

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PUBCHEM

370346

Created by admin on Sat Dec 16 16:06:29 GMT 2023 , Edited by admin on Sat Dec 16 16:06:29 GMT 2023

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CAS

86690-14-4

Created by admin on Sat Dec 16 16:06:29 GMT 2023 , Edited by admin on Sat Dec 16 16:06:29 GMT 2023

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