Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
YY7B0P0407
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 03:19:20 EDT 2021
Edited by admin on Wed Aug 04 03:19:20 EDT 2021
Structure of TRICHOTHECOLONE ACETATE

Systematic Names:

  • None recorded

SMILES

[H][C@@]12C[C@@H](OC(C)=O)[C@@](C)([C@]13CO3)[C@@]4(C)CC(=O)C(C)=C[C@@]4([H])O2

InChI

UGISZOXYFHGCSR-IKIFYQGPSA-N
InChI=1S/C17H22O5/c1-9-5-12-15(3,7-11(9)19)16(4)13(21-10(2)18)6-14(22-12)17(16)8-20-17/h5,12-14H,6-8H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1
Name Type Language Details Access References
TRICHOTHECOLONE ACETATE
Common Name
English  
TRICHOTHEC-9-EN-8-ONE, 4-(ACETYLOXY)-12,13-EPOXY-, (4.BETA.)-
Common Name
English  
SPIRO(2,5-METHANO-1-BENZOXEPIN-10,2'-OXIRAN)-7(6H)-ONE, 2.BETA.,3,4,5,5A,9A.ALPHA.-HEXAHYDRO-4.BETA.-HYDROXY-5.BETA.,5A.ALPHA.,8-TRIMETHYL-, ACETATE
Common Name
English  
4-O-ACETYLTRICHOTHECOLONE
Common Name
English  
(4.BETA.)-4-(ACETYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE
Common Name
English  
Code System Code Type Description Access References
CAS
4682-54-6
Created by admin on Wed Aug 04 03:19:20 EDT 2021 , Edited by admin on Wed Aug 04 03:19:20 EDT 2021
PRIMARY
FDA UNII
YY7B0P0407
Created by admin on Wed Aug 04 03:19:20 EDT 2021 , Edited by admin on Wed Aug 04 03:19:20 EDT 2021
PRIMARY
PUBCHEM
20841657
Created by admin on Wed Aug 04 03:19:20 EDT 2021 , Edited by admin on Wed Aug 04 03:19:20 EDT 2021
PRIMARY
Created Wed Aug 04 03:19:20 EDT 2021
Created By admin
Last Edited Wed Aug 04 03:19:20 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:07:04 EDT 2017
2 STN STN (SCIFINDER)
3 STN SRS NOMEN
4 PUBCHEM PUBCHEM
5 SRS import [YY7B0P0407] SRS NOMEN Fri Apr 28 15:07:04 EDT 2017
6 CFSAN SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
7 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 03:19:19 EDT 2021

Molecular Formula C17H22O5
Molecular Weight 306.3536
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED