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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O3
Molecular Weight 312.4028
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Jatrophone, (+)-

SMILES

C[C@@H]1C[C@@]23OC(CC(C)(C)\C=C\C(=O)C(C)=CC2=C1)=C(C)C3=O

InChI

InChIKey=MJNNONLDVCCGCA-ZQHAHMAHSA-N
InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24O3
Molecular Weight 312.4028
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:07:30 GMT 2023
Edited
by admin
on Sat Dec 16 10:07:30 GMT 2023
Record UNII
R6ZN436TPE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Jatrophone, (+)-
Common Name English
(2R,3aR,9E,12Z)-2,3,7,8-Tetrahydro-2,5,8,8,12-pentamethyl-3a,6-epoxy-3aH-cyclopentacyclododecene-4,11-dione
Systematic Name English
Jatrophone
Common Name English
NSC-135037
Code English
3aβ,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2α,5,8,8,12-pentamethyl-, (+)-
Systematic Name English
(+)-Jatrophone
Common Name English
3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2R-(2R*,3aR*,9E,12Z)]-
Systematic Name English
3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, (2R,3aR,9E,12Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
R6ZN436TPE
Created by admin on Sat Dec 16 10:07:30 GMT 2023 , Edited by admin on Sat Dec 16 10:07:30 GMT 2023
PRIMARY
CAS
29444-03-9
Created by admin on Sat Dec 16 10:07:30 GMT 2023 , Edited by admin on Sat Dec 16 10:07:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID501317287
Created by admin on Sat Dec 16 10:07:30 GMT 2023 , Edited by admin on Sat Dec 16 10:07:30 GMT 2023
PRIMARY
NSC
135037
Created by admin on Sat Dec 16 10:07:30 GMT 2023 , Edited by admin on Sat Dec 16 10:07:30 GMT 2023
PRIMARY
PUBCHEM
6325446
Created by admin on Sat Dec 16 10:07:30 GMT 2023 , Edited by admin on Sat Dec 16 10:07:30 GMT 2023
PRIMARY