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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O9
Molecular Weight 478.5321
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Simalikalactone D, (-)-

SMILES

CC[C@H](C)C(=O)O[C@H]1[C@@H]2[C@@]3(C)OC[C@@]24[C@H](C[C@@H]5C(C)=CC(=O)[C@H](O)[C@@]5(C)[C@@H]4[C@H](O)[C@H]3O)OC1=O

InChI

InChIKey=OKIKYYZNNZCZRX-DYRMLTLVSA-N
InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O9
Molecular Weight 478.5321
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:41:46 GMT 2025
Edited
by admin
on Wed Apr 02 14:41:46 GMT 2025
Record UNII
FU36KEH6SV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Simalikalactone D, (-)-
Common Name English
(-)-Simalikalactone D
Preferred Name English
ent-Simalikalactone D
Common Name English
Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, [1?,5?,7?,8?,9?,10?,11?,12?,13?,14?,15?(S)]-
Systematic Name English
Code System Code Type Description
CAS
139756-43-7
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
FDA UNII
FU36KEH6SV
Created by admin on Wed Apr 02 14:41:46 GMT 2025 , Edited by admin on Wed Apr 02 14:41:46 GMT 2025
PRIMARY
Related Record Type Details
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