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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O2
Molecular Weight 234.334
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICHOTHECA-9,12-DIEN-15-OL, (2.ALPHA.,5.ALPHA.,6.BETA.,11.BETA.)-

SMILES

[H][C@@]12O[C@H]3CC[C@](C)(C3=C)[C@]1(CO)CCC(C)=C2

InChI

InChIKey=PQBNUDVBMOMLPM-XQLPTFJDSA-N
InChI=1S/C15H22O2/c1-10-4-7-15(9-16)13(8-10)17-12-5-6-14(15,3)11(12)2/h8,12-13,16H,2,4-7,9H2,1,3H3/t12-,13-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O2
Molecular Weight 234.334
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 12:08:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:08:49 GMT 2023
Record UNII
6S229IAA4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICHOTHECA-9,12-DIEN-15-OL, (2.ALPHA.,5.ALPHA.,6.BETA.,11.BETA.)-
Systematic Name English
TRICHOTHECA-9,12-DIEN-15-OL, (2A,5A,6B,11B)-
Systematic Name English
TRICHOTHECA-9,12-DIEN-15-OL, (+)-
Common Name English
Code System Code Type Description
PUBCHEM
11128246
Created by admin on Sat Dec 16 12:08:49 GMT 2023 , Edited by admin on Sat Dec 16 12:08:49 GMT 2023
PRIMARY
FDA UNII
6S229IAA4H
Created by admin on Sat Dec 16 12:08:49 GMT 2023 , Edited by admin on Sat Dec 16 12:08:49 GMT 2023
PRIMARY
CAS
145332-86-1
Created by admin on Sat Dec 16 12:08:49 GMT 2023 , Edited by admin on Sat Dec 16 12:08:49 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER