NEOARCTIN B

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@@H]2[C@@H](CC3=CC(OC)=C(C=C3)C4=C(OC)C=C(C[C@H]5COC(=O)[C@@H]5CC6=CC(OC)=C(O)C(OC)=C6)C=C4)COC2=O)=CC(OC)=C1O

InChI

InChIKey=TYEFCPJCPSRVMT-DSOCELCXSA-N

InChI=1S/C42H46O12/c1-47-33-15-23(11-27-21-53-41(45)31(27)13-25-17-35(49-3)39(43)36(18-25)50-4)7-9-29(33)30-10-8-24(16-34(30)48-2)12-28-22-54-42(46)32(28)14-26-19-37(51-5)40(44)38(20-26)52-6/h7-10,15-20,27-28,31-32,43-44H,11-14,21-22H2,1-6H3/t27-,28-,31+,32+/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 `Mon Mar 31 21:25:23 GMT 2025` Edited by `admin` on `Mon Mar 31 21:25:23 GMT 2025`
Record UNII	224E4X4191
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-NEOARCTIN B

Preferred Name

English

NEOARCTIN B

Common Name

English

2(3H)-FURANONE, 4,4'-((2,2'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(METHYLENE))BIS(DIHYDRO-3-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-, (3.ALPHA.,4.BETA.(3'R*,4'R*))-(-)-

Common Name

English

2(3H)-FURANONE, 4,4'-((2,2'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(METHYLENE))BIS(DIHYDRO-3-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-, (3R,3'R,4R,4'R)-REL-(-)-

Common Name

English

Code System Code Type Description

PUBCHEM

3083466

Created by admin on Mon Mar 31 21:25:23 GMT 2025 , Edited by admin on Mon Mar 31 21:25:23 GMT 2025

PRIMARY

FDA UNII

224E4X4191

Created by admin on Mon Mar 31 21:25:23 GMT 2025 , Edited by admin on Mon Mar 31 21:25:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID30166002

Created by admin on Mon Mar 31 21:25:23 GMT 2025 , Edited by admin on Mon Mar 31 21:25:23 GMT 2025

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CAS

155969-67-8

Created by admin on Mon Mar 31 21:25:23 GMT 2025 , Edited by admin on Mon Mar 31 21:25:23 GMT 2025

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