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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28O6
Molecular Weight 352.422
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,13-DIHYDROXY-3,11-EPOXYAPOTRICHOTHEC-9-ENE

SMILES

[H][C@@]12O[C@]3(COC(C)=O)[C@@H](CC[C@]3(C)[C@@]1(C)C[C@H](O)C(C)=C2)OC(C)=O

InChI

InChIKey=MELIPHIFWPWUDX-XNIJUTNWSA-N
InChI=1S/C19H28O6/c1-11-8-16-17(4,9-14(11)22)18(5)7-6-15(24-13(3)21)19(18,25-16)10-23-12(2)20/h8,14-16,22H,6-7,9-10H2,1-5H3/t14-,15+,16-,17-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H28O6
Molecular Weight 352.422
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 Sat Dec 16 10:40:09 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:09 GMT 2023
Record UNII
9A0882LAUQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,13-DIHYDROXY-3,11-EPOXYAPOTRICHOTHEC-9-ENE
Common Name English
2,13-DI-HYDROXY-3,11-EPOXYAPOTRICHOTHEC-9-ENE
Common Name English
(3R-(3.ALPHA.,3A.BETA.,4A.BETA.,7.ALPHA.,8A.ALPHA.,8B.BETA.))- ((3R,3AR,4AS,7S,8AR,8BR)-3-ACETOXY-7-HYDROXY-6,8A,8B-TRIMETHYL-1,2,3,4A,7,8-HEXAHYDROCYCLOPENTA(B)BENZOFURAN-3A-YL)METHYL ACETATE
Systematic Name English
1H-CYCLOPENTA(B)BENZOFURAN-3,7-DIOL, 3A-((ACETYLOXY)METHYL)-2,3,3A,4A,7,8,8A,8B-OCTAHYDRO-6,8,8A,8B-TRIMETHYL-, 3-ACETATE,
Systematic Name English
Code System Code Type Description
PUBCHEM
21725818
Created by admin on Sat Dec 16 10:40:09 GMT 2023 , Edited by admin on Sat Dec 16 10:40:09 GMT 2023
PRIMARY
CAS
124028-47-3
Created by admin on Sat Dec 16 10:40:09 GMT 2023 , Edited by admin on Sat Dec 16 10:40:09 GMT 2023
PRIMARY
FDA UNII
9A0882LAUQ
Created by admin on Sat Dec 16 10:40:09 GMT 2023 , Edited by admin on Sat Dec 16 10:40:09 GMT 2023
PRIMARY