MURRANGATIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C15H16O5
Molecular Weight	276.2845
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C([C@H](O)[C@H](O)C(C)=C)C2=C(C=CC(=O)O2)C=C1

InChI

InChIKey=DKEANOQWICTXTP-KGLIPLIRSA-N

InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H16O5
Molecular Weight	276.2845
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 20:05:28 GMT 2025` Edited by `admin` on `Tue Apr 01 20:05:28 GMT 2025`
Record UNII	3SF8Z2MIQD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MURRANGATIN

Common Name

English

(7-METHOXY-8-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL))COUMARIN

Preferred Name

English

2H-1-BENZOPYRAN-2-ONE, 8-((1R,2S)-1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXY-, REL-(-)-

Systematic Name

English

REL-(-)-8-((1R,2S)-1,2-DIHYDROXY-3-METHYL-3-BUTEN-1-YL)-7-METHOXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 8-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXY-, (R*,S*)-(-)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13917407

Created by admin on Tue Apr 01 20:05:28 GMT 2025 , Edited by admin on Tue Apr 01 20:05:28 GMT 2025

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CAS

37126-91-3

Created by admin on Tue Apr 01 20:05:28 GMT 2025 , Edited by admin on Tue Apr 01 20:05:28 GMT 2025

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EPA CompTox

DTXSID30958323

Created by admin on Tue Apr 01 20:05:28 GMT 2025 , Edited by admin on Tue Apr 01 20:05:28 GMT 2025

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FDA UNII

3SF8Z2MIQD

Created by admin on Tue Apr 01 20:05:28 GMT 2025 , Edited by admin on Tue Apr 01 20:05:28 GMT 2025

PRIMARY