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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24O5
Molecular Weight 308.3695
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXYISOTRICHODERMIN, (7.ALPHA.)-

SMILES

[H][C@@]12O[C@]3([H])C=C(C)C[C@@H](O)[C@]3(C)[C@@](C)(C[C@H]1OC(C)=O)[C@]24CO4

InChI

InChIKey=DXJVHMPBOIJQMO-NOCMYWHHSA-N
InChI=1S/C17H24O5/c1-9-5-12(19)16(4)13(6-9)22-14-11(21-10(2)18)7-15(16,3)17(14)8-20-17/h6,11-14,19H,5,7-8H2,1-4H3/t11-,12-,13-,14-,15-,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H24O5
Molecular Weight 308.3695
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:22:27 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:27 GMT 2023
Record UNII
B1EF0T9HAY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXYISOTRICHODERMIN, (7.ALPHA.)-
Common Name English
TRICHOTHEC-9-ENE-3,7-DIOL, 12,13-EPOXY-, 3-ACETATE, (3.ALPHA.,7.ALPHA.)-
Systematic Name English
7-HYDROXYISOTRICHODERMIN, (7R)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50912624
Created by admin on Sat Dec 16 10:22:27 GMT 2023 , Edited by admin on Sat Dec 16 10:22:27 GMT 2023
PRIMARY
CAS
99571-97-8
Created by admin on Sat Dec 16 10:22:27 GMT 2023 , Edited by admin on Sat Dec 16 10:22:27 GMT 2023
PRIMARY
PUBCHEM
101661899
Created by admin on Sat Dec 16 10:22:27 GMT 2023 , Edited by admin on Sat Dec 16 10:22:27 GMT 2023
PRIMARY
FDA UNII
B1EF0T9HAY
Created by admin on Sat Dec 16 10:22:27 GMT 2023 , Edited by admin on Sat Dec 16 10:22:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT MAY BE PRESENT