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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O5
Molecular Weight 346.4174
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPHAEROPSIDIN A

SMILES

CC1(C)CCC[C@]23[C@H]1[C@](O)(OC2=O)C(=O)C4=C[C@](C)(CC[C@]34O)C=C

InChI

InChIKey=FEKFUWWVNCCROX-SQWSIXGCSA-N
InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O5
Molecular Weight 346.4174
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 Tue Apr 01 19:41:36 GMT 2025
Edited
by admin
on Tue Apr 01 19:41:36 GMT 2025
Record UNII
9F59Q9OS1I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIBIOTIC LL-S491.BETA.
Preferred Name English
SPHAEROPSIDIN A
Common Name English
LL-S491BETA
Common Name English
SPHAEROPSIDIN A, (+)-
Common Name English
9H-10,4A-(EPOXYMETHANO)PHENANTHRENE-9,12-DIONE, 7-ETHENYL-1,2,3,4,4B,5,6,7,10,10A-DECAHYDRO-4B,10-DIHYDROXY-1,1,7-TRIMETHYL-, (4AR,4BR,7R,10S,10AS)-
Systematic Name English
(4AR,4BR,7R,10S,10AS)-7-ETHENYL-1,2,3,4,4B,5,6,7,10,10A-DECAHYDRO-4B,10-DIHYDROXY-1,1,7-TRIMETHYL-9H-10,4A-(EPOXYMETHANO)PHENANTHRENE-9,12-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
51361447
Created by admin on Tue Apr 01 19:41:36 GMT 2025 , Edited by admin on Tue Apr 01 19:41:36 GMT 2025
PRIMARY
CAS
38991-80-9
Created by admin on Tue Apr 01 19:41:36 GMT 2025 , Edited by admin on Tue Apr 01 19:41:36 GMT 2025
PRIMARY
FDA UNII
9F59Q9OS1I
Created by admin on Tue Apr 01 19:41:36 GMT 2025 , Edited by admin on Tue Apr 01 19:41:36 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY
LL-S49I.beta. displays significant antibacterial activity against certain gram-positive organisms and LL-S49l.gamma. exhibits antiviral activity against Herpes simplex. Both compounds possess strong antiprotozoal activity against Tetrahymena pyriformis.