ACRL TOXIN III A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H28O6
Molecular Weight	352.422
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(/C)[C@@H](O)[C@@H](C)\C=C\[C@@H](O)[C@@H](C)[C@@H](O)CC1=CC(O)=CC(=O)O1

InChI

InChIKey=WJVBLCWQPWWRIY-UQVGUJNUSA-N

InChI=1S/C19H28O6/c1-5-11(2)19(24)12(3)6-7-16(21)13(4)17(22)10-15-8-14(20)9-18(23)25-15/h5-9,12-13,16-17,19-22,24H,10H2,1-4H3/b7-6+,11-5+/t12-,13+,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H28O6
Molecular Weight	352.422
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:07:06 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:06 GMT 2023`
Record UNII	B1X1FHH74Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACRL TOXIN III A

Common Name

English

2H-PYRAN-2-ONE, 4-HYDROXY-6-(2,4,8-TRIHYDROXY-3,7,9-TRIMETHYL-5,9-UNDECADIENYL)-, (2S-(2R*,3R*,4S*,5E,7R*,8R*,9E))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

54724812

Created by admin on Sat Dec 16 15:07:06 GMT 2023 , Edited by admin on Sat Dec 16 15:07:06 GMT 2023

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FDA UNII

B1X1FHH74Y

Created by admin on Sat Dec 16 15:07:06 GMT 2023 , Edited by admin on Sat Dec 16 15:07:06 GMT 2023

PRIMARY

CAS

101951-97-7

Created by admin on Sat Dec 16 15:07:06 GMT 2023 , Edited by admin on Sat Dec 16 15:07:06 GMT 2023

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