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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H50O5
Molecular Weight 502.7257
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICHOTHECOLONE PALMITATE

SMILES

[H][C@@]12C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@](C)(C13CO3)[C@@]4(C)CC(=O)C(C)=C[C@@]4([H])O2

InChI

InChIKey=ALAKXPPBGLXDKP-WDBJJVJHSA-N
InChI=1S/C31H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)36-26-20-27-31(22-34-31)30(26,4)29(3)21-24(32)23(2)19-25(29)35-27/h19,25-27H,5-18,20-22H2,1-4H3/t25-,26-,27-,29+,30-,31?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TRICHOTHECOLONE PALMITATE
Common Name English
TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-4-((1-OXOHEXADECYL)OXY)-, (4.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
1R3CQO7CKO
Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023
PRIMARY
CAS
100667-47-8
Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023
PRIMARY
PUBCHEM
119025889
Created by admin on Sat Dec 16 10:36:35 GMT 2023 , Edited by admin on Sat Dec 16 10:36:35 GMT 2023
PRIMARY