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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O5
Molecular Weight 348.4333
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPHAEROPSIDIN B

SMILES

[H][C@@]12[C@]3(O)OC(=O)[C@@]1(CCCC2(C)C)[C@@]4(O)CC[C@](C)(C=C)C=C4[C@H]3O

InChI

InChIKey=XJXDJAQAAAVDCT-RHOFUAETSA-N
InChI=1S/C20H28O5/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/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O5
Molecular Weight 348.4333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:04 GMT 2023
Record UNII
7TAV6V0JZO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPHAEROPSIDIN B
Common Name English
LL-S491GAMMA
Common Name English
PINOWILTIN
Common Name English
ANTIBIOTIC LL-S491.GAMMA.
Common Name English
(4AR,4BR,7S,9R,10S,10AS)-7-ETHENYL-1,3,4,4B,5,6,7,9,10,10A-DECAHYDRO-4B,9,10-TRIHYDROXY-1,1,7-TRIMETHYL-2H-10,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE
Systematic Name English
2H-10,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 7-ETHENYL-1,3,4,4B,5,6,7,9,10,10A-DECAHYDRO-4B,9,10-TRIHYDROXY-1,1,7-TRIMETHYL-, (4AR,4BR,7S,9R,10S,10AS)-
Systematic Name English
SPHAEROPSIDIN B, (-)-
Common Name English
Code System Code Type Description
PUBCHEM
57396736
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
CAS
39022-38-3
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
FDA UNII
7TAV6V0JZO
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
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.