NEOARCTIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H46O12
Molecular Weight	742.8074
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC3=CC=C(OC4=CC=C(C[C@H]5COC(=O)[C@@H]5CC6=CC(OC)=C(O)C(OC)=C6)C=C4OC)C(OC)=C3)C=C1OC

InChI

InChIKey=KFWLSSAUIJYWLQ-SYQUUIDJSA-N

InChI=1S/C42H46O12/c1-46-32-10-7-24(17-35(32)47-2)13-28-22-52-41(44)30(28)15-26-9-12-34(37(19-26)49-4)54-33-11-8-25(18-36(33)48-3)14-29-23-53-42(45)31(29)16-27-20-38(50-5)40(43)39(21-27)51-6/h7-12,17-21,28-31,43H,13-16,22-23H2,1-6H3/t28-,29-,30+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H46O12
Molecular Weight	742.8074
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:15:53 GMT 2023` Edited by `admin` on `Fri Dec 15 20:15:53 GMT 2023`
Record UNII	597OE4BMXL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOARCTIN A

Common Name

English

2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-3-((3-METHOXY-4-(2-METHOXY-4-(((3R,4R)-TETRAHYDRO-4-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-5-OXO-3-FURANYL)METHYL)PHENOXY)PHENYL)METHYL)-, (3R,4R)-

Common Name

English

2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-3-((3-METHOXY-4-(2-METHOXY-4-((TETRAHYDRO-4-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-5-OXO-3-FURANYL)METHYL)PHENOXY)PHENYL)METHYL)-, (3R-(3.ALPHA.(3R*,4R*),4.BETA.))-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20167568

Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023

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CAS

163318-69-2

Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023

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PUBCHEM

71587561

Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023

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FDA UNII

597OE4BMXL

Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023

PRIMARY