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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O4
Molecular Weight 200.2316
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRELOG-DJERASSI LACTONIC ACID, (+)-

SMILES

[H][C@@]1(OC(=O)[C@H](C)C[C@@H]1C)[C@@H](C)C(O)=O

InChI

InChIKey=BPPNRVIGLJVOCW-OSMVPFSASA-N
InChI=1S/C10H16O4/c1-5-4-6(2)10(13)14-8(5)7(3)9(11)12/h5-8H,4H2,1-3H3,(H,11,12)/t5-,6+,7+,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16O4
Molecular Weight 200.2316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:36:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:36:27 GMT 2023
Record UNII
A3VM4B9LHK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRELOG-DJERASSI LACTONIC ACID, (+)-
Common Name English
(+)-PRELOG-DJERASSI LACTONIC ACID
Common Name English
PRELOG-DJERASSI LACTONE
Common Name English
(.ALPHA.R,2S,3S,5R)-TETRAHYDRO-.ALPHA.,3,5-TRIMETHYL-6-OXO-2H-PYRAN-2-ACETIC ACID
Systematic Name English
PRELOG-DJERASSI LACTONE [MI]
Common Name English
H-PYRAN-2-ACETIC ACID, TETRAHYDRO-.ALPHA.,3,5-TRIMETHYL-6-OXO-, (.ALPHA.R,2S,3S,5R)-
Systematic Name English
Code System Code Type Description
CAS
69056-12-8
Created by admin on Sat Dec 16 09:36:27 GMT 2023 , Edited by admin on Sat Dec 16 09:36:27 GMT 2023
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FDA UNII
A3VM4B9LHK
Created by admin on Sat Dec 16 09:36:27 GMT 2023 , Edited by admin on Sat Dec 16 09:36:27 GMT 2023
PRIMARY
MERCK INDEX
m9122
Created by admin on Sat Dec 16 09:36:27 GMT 2023 , Edited by admin on Sat Dec 16 09:36:27 GMT 2023
PRIMARY
PUBCHEM
12480762
Created by admin on Sat Dec 16 09:36:27 GMT 2023 , Edited by admin on Sat Dec 16 09:36:27 GMT 2023
PRIMARY