U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O5
Molecular Weight 354.3964
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PLEUROTINE

SMILES

C[C@H]1CO[C@H]2C3=C([C@@H]4OC(=O)[C@H]5CC[C@@H]6[C@H]1CC[C@]26[C@H]45)C(=O)C=CC3=O

InChI

InChIKey=QCPDBEXGCHOIDE-ZPUAQPQFSA-N
InChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,9-12,17-19H,2-3,6-8H2,1H3/t9-,10-,11-,12+,17-,18-,19-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O5
Molecular Weight 354.3964
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:37:38 GMT 2025
Edited
by admin
on Mon Mar 31 22:37:38 GMT 2025
Record UNII
O1NJT91NK5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIBIOTIC P1
Preferred Name English
PLEUROTINE
MI  
Common Name English
PLEUROTINE [MI]
Common Name English
2H-5,12D-ETHANOFURO(4',3',2':4,10)ANTHRA(9,1-BC)OXEPIN-2,9,12-TRIONE, 2A,3,4,4A,5,6,7,8A,12B,12C-DECAHYDRO-6-METHYL-, (2AR,4AS,5S,6S,8AS,12BS,12CS,12DR)-REL-(-)-
Systematic Name English
GEOGENINE
Common Name English
2H-5,12D-ETHANOFURO(4',3',2':4,10)ANTHRA(9,1-BC)OXEPIN-2,9,12-TRIONE, 2A,3,4,4A,5,6,7,8A,12B,12C-DECAHYDRO-6-METHYL-, (2A.ALPHA.,4A.BETA.,5.BETA.,6.BETA.,8A.ALPHA.,12B.BETA.,12C.BETA.,12D.BETA.)-(-)-
Systematic Name English
PLEUROTIN
Common Name English
NSC-401005
Code English
Code System Code Type Description
CAS
77550-91-5
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
SUPERSEDED
CAS
1404-23-5
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY
FDA UNII
O1NJT91NK5
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID30930780
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY
PUBCHEM
13994131
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY
MERCK INDEX
m8921
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY Merck Index
NSC
401005
Created by admin on Mon Mar 31 22:37:38 GMT 2025 , Edited by admin on Mon Mar 31 22:37:38 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY