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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18O5
Molecular Weight 290.3111
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WENTILACTONE B

SMILES

[H][C@@]12OC(=O)[C@@]3(C)C[C@H](O)C[C@](C)(C4=CC(=O)OCC4=C1)[C@@]23[H]

InChI

InChIKey=NQUNKSRIHYKOIX-QFLIJWGCSA-N
InChI=1S/C16H18O5/c1-15-5-9(17)6-16(2)13(15)11(21-14(16)19)3-8-7-20-12(18)4-10(8)15/h3-4,9,11,13,17H,5-7H2,1-2H3/t9-,11-,13-,15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18O5
Molecular Weight 290.3111
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:44:29 GMT 2023
Edited
by admin
on Fri Dec 15 19:44:29 GMT 2023
Record UNII
8JTI620GSI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WENTILACTONE B
Common Name English
4H,9H-FURO(2',3',4':4,5)NAPHTHO(2,1-C)PYRAN-4,9-DIONE, 1,2,3,3A,5A,7,10B,10C-OCTAHYDRO-2-HYDROXY-3A,10B-DIMETHYL-, (2R,3AS,5AR,10BS,10CR)-
Systematic Name English
Code System Code Type Description
CAS
76236-26-5
Created by admin on Fri Dec 15 19:44:29 GMT 2023 , Edited by admin on Fri Dec 15 19:44:29 GMT 2023
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FDA UNII
8JTI620GSI
Created by admin on Fri Dec 15 19:44:29 GMT 2023 , Edited by admin on Fri Dec 15 19:44:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID80997580
Created by admin on Fri Dec 15 19:44:29 GMT 2023 , Edited by admin on Fri Dec 15 19:44:29 GMT 2023
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PUBCHEM
156802
Created by admin on Fri Dec 15 19:44:29 GMT 2023 , Edited by admin on Fri Dec 15 19:44:29 GMT 2023
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