ACRL TOXIN I A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H30O4
Molecular Weight	310.4284
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]1O[C@@H](CC(C)=O)C[C@H](O)[C@@H]1C

InChI

InChIKey=KZUSVZNJHFYUQX-SOZWEOSDSA-N

InChI=1S/C18H30O4/c1-6-11(2)18(21)12(3)7-8-17-14(5)16(20)10-15(22-17)9-13(4)19/h6-8,12,14-18,20-21H,9-10H2,1-5H3/b8-7+,11-6+/t12-,14-,15-,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H30O4
Molecular Weight	310.4284
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 23:14:43 GMT 2025` Edited by `admin` on `Tue Apr 01 23:14:43 GMT 2025`
Record UNII	DSO7S61368
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACRL TOXIN I A

Common Name

English

2-PROPANONE, 1-(TETRAHYDRO-4-HYDROXY-6-(4-HYDROXY-3,5-DIMETHYL-1,5-HEPTADIENYL)-5-METHYL-2H-PYRAN-2-YL)-, (2R-(2.ALPHA.,4.BETA.,5.BETA.,6.ALPHA.(1E,3S*,4S*,5E)))-

Preferred Name

English

Code System Code Type Description

CAS

98353-43-6

Created by admin on Tue Apr 01 23:14:43 GMT 2025 , Edited by admin on Tue Apr 01 23:14:43 GMT 2025

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FDA UNII

DSO7S61368

Created by admin on Tue Apr 01 23:14:43 GMT 2025 , Edited by admin on Tue Apr 01 23:14:43 GMT 2025

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PUBCHEM

134687257

Created by admin on Tue Apr 01 23:14:43 GMT 2025 , Edited by admin on Tue Apr 01 23:14:43 GMT 2025

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