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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PETASIN

SMILES

C\C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C

InChI

InChIKey=ISTBXSFGFOYLTM-NZEDGPFZSA-N
InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:07:27 UTC 2023
Edited
by admin
on Sat Dec 16 08:07:27 UTC 2023
Record UNII
9Z0Q32J0QC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PETASIN
Common Name English
(+)-PETASIN
Common Name English
CROTONIC ACID, 2-METHYL-, ESTER WITH 3.ALPHA.-HYDROXY-EREMOPHILA-9,11-DIEN-8-ONE, (Z)-
Systematic Name English
PETAFORCE
Brand Name English
O-ANGELOYLSENCATHENONE
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (1R,2R,7S,8AR)-1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-6-OXO-2-NAPHTHALENYL ESTER, (2Z)-
Systematic Name English
PETASINE
Common Name English
Classification Tree Code System Code
DSLD 2678 (Number of products:9)
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
Code System Code Type Description
CHEBI
8030
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
CAS
26577-85-5
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
WIKIPEDIA
Petasin
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID201030056
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
PUBCHEM
5281526
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
FDA UNII
9Z0Q32J0QC
Created by admin on Sat Dec 16 08:07:27 UTC 2023 , Edited by admin on Sat Dec 16 08:07:27 UTC 2023
PRIMARY
Related Record Type Details
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