AURANTIOEMESTRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H20N2O9S
Molecular Weight	548.521
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC2=CC(C=O)=CC=C2O)C=C(C=C1)C(=O)O[C@H]3C=COC=C4C=C5N([C@H]34)C(=O)C(=S)N(C)C5=O

InChI

InChIKey=WRIFWCQWEAILFB-REWPJTCUSA-N

InChI=1S/C27H20N2O9S/c1-28-24(32)17-10-16-13-36-8-7-20(23(16)29(17)25(33)26(28)39)38-27(34)15-4-6-19(35-2)22(11-15)37-21-9-14(12-30)3-5-18(21)31/h3-13,20,23,31H,1-2H3/t20-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H20N2O9S
Molecular Weight	548.521
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:57:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:57:20 GMT 2025`
Record UNII	19666VKA0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AURANTIOEMESTRIN

Common Name

English

BENZOIC ACID, 3-(5-FORMYL-2-HYDROXYPHENOXY)-4-METHOXY-, (5AS,6S)-1,2,3,4,5A,6-HEXAHYDRO-2-METHYL-1,4-DIOXO-3-THIOXOOXEPINO(3',4':4,5)PYRROLO(1,2-A)PYRAZIN-6-YL ESTER

Preferred Name

English

BENZOIC ACID, 3-(5-FORMYL-2-HYDROXYPHENOXY)-4-METHOXY-, 1,2,3,4,5A,6-HEXAHYDRO-2-METHYL-1,4-DIOXO-3-THIOXOOXEPINO(3',4':4,5)PYRROLO(1,2-A)PYRAZIN-6-YL ESTER, (5AS-CIS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21599098

Created by admin on Tue Apr 01 19:57:20 GMT 2025 , Edited by admin on Tue Apr 01 19:57:20 GMT 2025

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CAS

105637-72-7

Created by admin on Tue Apr 01 19:57:20 GMT 2025 , Edited by admin on Tue Apr 01 19:57:20 GMT 2025

PRIMARY

FDA UNII

19666VKA0H

Created by admin on Tue Apr 01 19:57:20 GMT 2025 , Edited by admin on Tue Apr 01 19:57:20 GMT 2025

PRIMARY