Isocycloheterophyllin

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H30O7
Molecular Weight	502.555
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C2OC(C)(C)C=CC2=C3OC4=C(CC(OC5=CC(O)=C(O)C=C45)=C(C)C)C(=O)C3=C1O

InChI

InChIKey=PNKNNRLOQYRSCW-UHFFFAOYSA-N

InChI=1S/C30H30O7/c1-14(2)7-8-16-25(33)24-26(34)19-12-22(15(3)4)35-23-13-21(32)20(31)11-18(23)27(19)36-29(24)17-9-10-30(5,6)37-28(16)17/h7,9-11,13,31-33H,8,12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C30H30O7
Molecular Weight	502.555
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:36:34 GMT 2023` Edited by `admin` on `Sat Dec 16 19:36:34 GMT 2023`
Record UNII	ALL6767AYE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isocycloheterophyllin

Common Name

English

8,9-Dihydro-6,12,13-trihydroxy-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-9-(1-methylethylidene)-3H,7H-pyrano[2′,3′:7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one

Systematic Name

English

3H,7H-Pyrano[2′,3′:7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one, 8,9-dihydro-6,12,13-trihydroxy-3,3-dimethyl-5-(3-methyl-2-buten-1-yl)-9-(1-methylethylidene)-

Systematic Name

English

3H,7H-Pyrano[2′,3′:7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one, 8,9-dihydro-6,12,13-trihydroxy-3,3-dimethyl-5-(3-methyl-2-butenyl)-9-(1-methylethylidene)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71437947

Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023

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CAS

49794-94-7

Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023

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FDA UNII

ALL6767AYE

Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023

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EPA CompTox

DTXSID50109989

Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023

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