ACRL TOXIN I B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H30O6
Molecular Weight	354.4379
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
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)C[C@@H]1CC(O)=CC(=O)O1

InChI

InChIKey=DPLVZZAZGYXULT-FQOZNQACSA-N

InChI=1S/C19H30O6/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/h5-7,9,12-13,15-17,19-22,24H,8,10H2,1-4H3/b7-6+,11-5+/t12-,13+,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H30O6
Molecular Weight	354.4379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:57:07 GMT 2025` Edited by `admin` on `Tue Apr 01 22:57:07 GMT 2025`
Record UNII	YC2Q1O94PT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACR-TOXIN I

Preferred Name

English

ACRL TOXIN I B

Common Name

English

(6R)-5,6-DIHYDRO-4-HYDROXY-6-((2S,3S,4R,5E,7S,8S,9E)-2,4,8-TRIHYDROXY-3,7,9-TRIMETHYL-5,9-UNDECADIEN-1-YL)-2H-PYRAN-2-ONE

Systematic Name

English

2H-PYRAN-2-ONE, 5,6-DIHYDRO-4-HYDROXY-6-((2S,3S,4R,5E,7S,8S,9E)-2,4,8-TRIHYDROXY-3,7,9-TRIMETHYL-5,9-UNDECADIEN-1-YL)-, (6R)-

Systematic Name

English

Code System Code Type Description

CAS

98353-41-4

Created by admin on Tue Apr 01 22:57:07 GMT 2025 , Edited by admin on Tue Apr 01 22:57:07 GMT 2025

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PUBCHEM

54720478

Created by admin on Tue Apr 01 22:57:07 GMT 2025 , Edited by admin on Tue Apr 01 22:57:07 GMT 2025

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FDA UNII

YC2Q1O94PT

Created by admin on Tue Apr 01 22:57:07 GMT 2025 , Edited by admin on Tue Apr 01 22:57:07 GMT 2025

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