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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23NO5
Molecular Weight 309.3575
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCROMADURINE

SMILES

[H][C@@]12[C@H]3CCN1CC=C2COC(=O)[C@@H](C)[C@](C)(O)[C@@H](C)C(=O)O3

InChI

InChIKey=PSUFRPOAICRSTC-ZLGRWFNRSA-N
InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO5
Molecular Weight 309.3575
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 Sat Dec 16 10:28:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:28:59 GMT 2023
Record UNII
8FS62J40NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCROMADURINE
Common Name English
2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,10,12,13,13A,13B-OCTAHYDRO-4-HYDROXY-3,4,5-TRIMETHYL-
Systematic Name English
20-NORCROTALANAN-11,15-DIONE, 14,19-DIHYDRO-13-HYDROXY-, (12.XI.,13.XI.)-
Common Name English
Code System Code Type Description
FDA UNII
8FS62J40NX
Created by admin on Sat Dec 16 10:28:59 GMT 2023 , Edited by admin on Sat Dec 16 10:28:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID60973029
Created by admin on Sat Dec 16 10:28:59 GMT 2023 , Edited by admin on Sat Dec 16 10:28:59 GMT 2023
PRIMARY
CAS
57495-69-9
Created by admin on Sat Dec 16 10:28:59 GMT 2023 , Edited by admin on Sat Dec 16 10:28:59 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
442726
Created by admin on Sat Dec 16 10:28:59 GMT 2023 , Edited by admin on Sat Dec 16 10:28:59 GMT 2023
PRIMARY