U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O8
Molecular Weight 408.4422
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCIRPENETRIOL TRIACETATE

SMILES

CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)C34CO4

InChI

InChIKey=YWQOKOBRSAAKTG-SUZJGXHKSA-N
InChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15-,16-,17-,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O8
Molecular Weight 408.4422
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 Tue Apr 01 16:51:20 GMT 2025
Edited
by admin
on Tue Apr 01 16:51:20 GMT 2025
Record UNII
D2T6D1C5LU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCIRPENETRIOL TRIACETATE
Common Name English
NSC-267031
Preferred Name English
SCIRPENOL TRIACETATE
Common Name English
3.ALPHA.,4.BETA.,15-TRIACETOXY-12,13-EPOXYTRICHOTHEC-9-ENE
Systematic Name English
ANGUIDOL TRIACETATE
Common Name English
TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3,4,15-TRIACETATE, (3.ALPHA.,4.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80962814
Created by admin on Tue Apr 01 16:51:20 GMT 2025 , Edited by admin on Tue Apr 01 16:51:20 GMT 2025
PRIMARY
NSC
267031
Created by admin on Tue Apr 01 16:51:20 GMT 2025 , Edited by admin on Tue Apr 01 16:51:20 GMT 2025
PRIMARY
FDA UNII
D2T6D1C5LU
Created by admin on Tue Apr 01 16:51:20 GMT 2025 , Edited by admin on Tue Apr 01 16:51:20 GMT 2025
PRIMARY
CAS
4297-61-4
Created by admin on Tue Apr 01 16:51:20 GMT 2025 , Edited by admin on Tue Apr 01 16:51:20 GMT 2025
PRIMARY
PUBCHEM
9909372
Created by admin on Tue Apr 01 16:51:20 GMT 2025 , Edited by admin on Tue Apr 01 16:51:20 GMT 2025
PRIMARY