EMBLICANIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H20O22
Molecular Weight	780.5094
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC2=C(C(O)=C1O)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]4[C@@H](COC2=O)OC(=O)C5=C4OC(=O)C6=C(C(O)=C(O)C(O)=C6)C7=C(O)C(O)=C(O)C=C7C(=O)O5

InChI

InChIKey=JNSDMRUXOVAXNP-LOKFHWFJSA-N

InChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2/t14-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H20O22
Molecular Weight	780.5094
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 `Sat Dec 16 09:12:04 GMT 2023` Edited by `admin` on `Sat Dec 16 09:12:04 GMT 2023`
Record UNII	91J5AHD9BM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMBLICANIN B

Common Name

English

D- ERYTHRO-HEX-2-ENONIC ACID

Common Name

English

D-ERYTHRO-HEX-2-ENONIC ACID, .DELTA.-LACTONE, CYCLIC 2,3:4,6-BIS((1S)-4,4',5,5',6,6'-HEXAHYDROXY(1,1'-BIPHENYL)-2,2'-DICARBOXYLATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

91J5AHD9BM

Created by admin on Sat Dec 16 09:12:04 GMT 2023 , Edited by admin on Sat Dec 16 09:12:04 GMT 2023

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CAS

180465-45-6

Created by admin on Sat Dec 16 09:12:04 GMT 2023 , Edited by admin on Sat Dec 16 09:12:04 GMT 2023

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EPA CompTox

DTXSID801317943

Created by admin on Sat Dec 16 09:12:04 GMT 2023 , Edited by admin on Sat Dec 16 09:12:04 GMT 2023

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PUBCHEM

119058017

Created by admin on Sat Dec 16 09:12:04 GMT 2023 , Edited by admin on Sat Dec 16 09:12:04 GMT 2023

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