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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O4
Molecular Weight 426.5882
Optical Activity ( - )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STYPOLDIONE

SMILES

C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]14CC5=C(O4)C(C)=CC(=O)C5=O

InChI

InChIKey=LLWMPGSQZXZZAE-JZFVXYNCSA-N
InChI=1S/C27H38O4/c1-15-13-18(28)22(30)17-14-27(31-23(15)17)16(2)7-8-20-25(5)11-10-21(29)24(3,4)19(25)9-12-26(20,27)6/h13,16,19-21,29H,7-12,14H2,1-6H3/t16-,19-,20+,21-,25-,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H38O4
Molecular Weight 426.5882
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:56:46 GMT 2025
Edited
by admin
on Mon Mar 31 19:56:46 GMT 2025
Record UNII
Y7JZ2J63Q7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-339672
Preferred Name English
STYPOLDIONE
Common Name English
Spiro[benzofuran-2(3H),1?(2?H)-phenanthrene]-4,5-dione, 3?,4?,4?a,4?b,5?,6?,7?,8?,8?a,9?,10?,10?a-dodecahydro-7?-hydroxy-2?,4?b,7,8?,8?,10?a-hexamethyl-, (1?S,2?S,4?aR,4?bS,7?S,8?aR,10?aR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034636
Created by admin on Mon Mar 31 19:56:46 GMT 2025 , Edited by admin on Mon Mar 31 19:56:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID70991416
Created by admin on Mon Mar 31 19:56:46 GMT 2025 , Edited by admin on Mon Mar 31 19:56:46 GMT 2025
PRIMARY
CAS
71103-05-4
Created by admin on Mon Mar 31 19:56:46 GMT 2025 , Edited by admin on Mon Mar 31 19:56:46 GMT 2025
PRIMARY
FDA UNII
Y7JZ2J63Q7
Created by admin on Mon Mar 31 19:56:46 GMT 2025 , Edited by admin on Mon Mar 31 19:56:46 GMT 2025
PRIMARY
NSC
339672
Created by admin on Mon Mar 31 19:56:46 GMT 2025 , Edited by admin on Mon Mar 31 19:56:46 GMT 2025
PRIMARY