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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24O5
Molecular Weight 308.3695
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEACETYLCALONECTRIN

SMILES

CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]3[C@H](O)C[C@@]2(C)[C@]34CO4

InChI

InChIKey=XJVUZQIPINLTLE-KWRZAIAESA-N
InChI=1S/C17H24O5/c1-10-4-5-16(8-20-11(2)18)13(6-10)22-14-12(19)7-15(16,3)17(14)9-21-17/h6,12-14,19H,4-5,7-9H2,1-3H3/t12-,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 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:58:24 GMT 2025
Edited
by admin
on Tue Apr 01 17:58:24 GMT 2025
Record UNII
97078WY46Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DEACETYLCALONECTRIN
Common Name English
3-DESACETYLCALONECTRIN
Preferred Name English
TRICHOTHEC-9-ENE-3,15-DIOL, 12,13-EPOXY-, 15-ACETATE, (3.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50192080
Created by admin on Tue Apr 01 17:58:24 GMT 2025 , Edited by admin on Tue Apr 01 17:58:24 GMT 2025
PRIMARY
PUBCHEM
54473389
Created by admin on Tue Apr 01 17:58:24 GMT 2025 , Edited by admin on Tue Apr 01 17:58:24 GMT 2025
PRIMARY
MANUFACTURER PRODUCT INFORMATION
3-DEACETYLCALONECTRIN
Created by admin on Tue Apr 01 17:58:24 GMT 2025 , Edited by admin on Tue Apr 01 17:58:24 GMT 2025
PRIMARY Substance Name: 3-Deacetylcalonectrin; CAS RN: 38818-68-7
FDA UNII
97078WY46Z
Created by admin on Tue Apr 01 17:58:24 GMT 2025 , Edited by admin on Tue Apr 01 17:58:24 GMT 2025
PRIMARY
CAS
38818-68-7
Created by admin on Tue Apr 01 17:58:24 GMT 2025 , Edited by admin on Tue Apr 01 17:58:24 GMT 2025
PRIMARY