EMBLICANIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H22O22
Molecular Weight	782.5253
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=CC(=CC(O)=C1O)C(=O)OC2=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(=O)O[C@@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C6=C(O)C(O)=C(O)C=C6C(=O)O[C@@H]24

InChI

InChIKey=UEHSSTYZXFBDNL-DNOBIOAJSA-N

InChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2/t18-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H22O22
Molecular Weight	782.5253
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 09:12:03 GMT 2023` Edited by `admin` on `Sat Dec 16 09:12:03 GMT 2023`
Record UNII	0T0143S5US
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMBLICANIN A

Common Name

English

D-ERYTHRO-HEX-2-ENONIC ACID

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

180465-44-5

Created by admin on Sat Dec 16 09:12:03 GMT 2023 , Edited by admin on Sat Dec 16 09:12:03 GMT 2023

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FDA UNII

0T0143S5US

Created by admin on Sat Dec 16 09:12:03 GMT 2023 , Edited by admin on Sat Dec 16 09:12:03 GMT 2023

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EPA CompTox

DTXSID801318058

Created by admin on Sat Dec 16 09:12:03 GMT 2023 , Edited by admin on Sat Dec 16 09:12:03 GMT 2023

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PUBCHEM

119058016

Created by admin on Sat Dec 16 09:12:03 GMT 2023 , Edited by admin on Sat Dec 16 09:12:03 GMT 2023

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