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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO5
Molecular Weight 335.3948
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of INTEGERRIMINE

SMILES

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C\C(=C/C)C(=O)O1)[C@]23[H]

InChI

InChIKey=HKODIGSRFALUTA-IKZAEVNJSA-N
InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO5
Molecular Weight 335.3948
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:16 UTC 2023
Edited
by admin
on Fri Dec 15 19:40:16 UTC 2023
Record UNII
3179A6U4PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INTEGERRIMINE
Common Name English
NSC-79540
Code English
(-)-INTEGERRIMINE
Common Name English
SQUALIDIN
Common Name English
SQUALIDINE
Common Name English
(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3-ETHYLIDENE-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-6-HYDROXY-5,6-DIMETHYL-, (3E,5R,6R,14AR,14BR)-
Systematic Name English
SENECIONINE C15-TRANS ISOMER [MI]
Common Name English
SENECIONAN-11,16-DIONE, 12-HYDROXY-, (15E)-
Common Name English
Code System Code Type Description
CAS
480-79-5
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY
PUBCHEM
5281733
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID601016480
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY
NSC
79540
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY
MERCK INDEX
m9860
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY Merck Index
FDA UNII
3179A6U4PN
Created by admin on Fri Dec 15 19:40:16 UTC 2023 , Edited by admin on Fri Dec 15 19:40:16 UTC 2023
PRIMARY
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