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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O3
Molecular Weight 250.3334
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-KETOAPOTRICHOTHECENE

SMILES

[H][C@@]12O[C@]3(CO)CC(=O)C[C@]3(C)[C@@]1(C)CCC(C)=C2

InChI

InChIKey=JJBMWLFFOIHRLZ-XQLPTFJDSA-N
InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O3
Molecular Weight 250.3334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:44:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:45 GMT 2023
Record UNII
RA7ZL8NMY7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-KETOAPOTRICHOTHECENE
Common Name English
(3AR,4AS,8AR,8BR)-3A-(HYDROXYMETHYL)-6,8A,8B-TRIMETHYL-3,4A,7,8-TETRAHYDRO-1H-CYCLOPENTA(B)BENZOFURAN-2-ONE
Systematic Name English
2H-CYCLOPENTA(B)BENZOFURAN-2-ONE, 1,3,3A,4A,7,8,8A,8B-OCTAHYDRO-3A-(HYDROXYMETHYL)-6,8A,8B-TRIMETHYL-, (3AR-(3A.ALPHA.,4A.ALPHA.,8A.BETA.,8B.ALPHA.))-
Systematic Name English
Code System Code Type Description
CAS
122470-39-7
Created by admin on Sat Dec 16 08:44:45 GMT 2023 , Edited by admin on Sat Dec 16 08:44:45 GMT 2023
PRIMARY
FDA UNII
RA7ZL8NMY7
Created by admin on Sat Dec 16 08:44:45 GMT 2023 , Edited by admin on Sat Dec 16 08:44:45 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
3-KETOAPOTRICHOTHECENE
Created by admin on Sat Dec 16 08:44:45 GMT 2023 , Edited by admin on Sat Dec 16 08:44:45 GMT 2023
PRIMARY Common Name: 3-KetoapotrichotheceneDescription: 3-Ketoapotrichothecene is a mycotoxin from Fusarium sambucinum.This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
PUBCHEM
14408093
Created by admin on Sat Dec 16 08:44:45 GMT 2023 , Edited by admin on Sat Dec 16 08:44:45 GMT 2023
PRIMARY