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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H25NO4
Molecular Weight 283.3633
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUPININE

SMILES

[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)O

InChI

InChIKey=DRVWTOSBCBKXOR-ZLDLUXBVSA-N
InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
SUPININE
Common Name English
SUPININ
Common Name English
BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (7AS-(7(2R*,3S*),7AR*))-
Systematic Name English
BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((7AS)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2S,3R)-
Systematic Name English
Code System Code Type Description
CAS
551-58-6
Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023
PRIMARY
FDA UNII
W11Q632E7K
Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID70203622
Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023
PRIMARY
PUBCHEM
108053
Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of SUPININE
NIH
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