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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O9
Molecular Weight 452.4948
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOSOLANIOL 8-ISOBUTYRATE

SMILES

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

InChI

InChIKey=CZZOBJORBLRBLT-DSCHAYMESA-N
InChI=1S/C23H32O9/c1-11(2)20(27)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-19-17(26)18(30-14(5)25)21(22,6)23(19)10-29-23/h7,11,15-19,26H,8-10H2,1-6H3/t15-,16+,17+,18+,19+,21+,22+,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H32O9
Molecular Weight 452.4948
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:44:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:29 GMT 2023
Record UNII
7OCL55CN56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOSOLANIOL 8-ISOBUTYRATE
Common Name English
8-ISOBUTYRYLNEOSOLANIOL
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 4,15-DIACETATE 8-(2-METHYLPROPANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91809166
Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID50912003
Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023
PRIMARY
FDA UNII
7OCL55CN56
Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023
PRIMARY
CAS
111112-48-2
Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023
PRIMARY