ACRL TOXIN IV A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O7
Molecular Weight	396.4746
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](O)CC1=CC(O)=CC(=O)O1

InChI

InChIKey=MQMXHXRCHYWGCO-GDWQXRDESA-N

InChI=1S/C21H32O7/c1-5-12(2)21(27)13(3)6-7-18(24)14(4)19(25)10-15(22)8-17-9-16(23)11-20(26)28-17/h5-7,9,11,13-15,18-19,21-25,27H,8,10H2,1-4H3/b7-6+,12-5+/t13-,14+,15-,18-,19-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O7
Molecular Weight	396.4746
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 `Sat Dec 16 14:21:09 GMT 2023` Edited by `admin` on `Sat Dec 16 14:21:09 GMT 2023`
Record UNII	BB29TY2A11
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACRL TOXIN IV A

Common Name

English

2H-PYRAN-2-ONE, 4-HYDROXY-6-(2,4,6,10-TETRAHYDROXY-5,9,11-TRIMETHYL-7,11-TRIDECADIENYL)-, (2R-(2R*,4S*,5S*,6S*,7E,9S*,10R*,11E))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

134687554

Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023

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CAS

104486-04-6

Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023

PRIMARY

FDA UNII

BB29TY2A11

Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023

PRIMARY