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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO6
Molecular Weight 429.506
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEHYTISINE

SMILES

[H][C@]12[C@@H]3C[C@]45CC(=C)[C@@H]6[C@@H](O)[C@@]4([H])[C@]17C[C@H](C[C@@]2(C)CN3[C@]7([H])[C@@]5(O)[C@@H]6OC(C)=O)OC(C)=O

InChI

InChIKey=OGNUSOJAYIHLNS-UVXYKNMHSA-N
InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14-,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31NO6
Molecular Weight 429.506
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:12:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:12:08 GMT 2023
Record UNII
A4KU64WAU2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEHYTISINE
Common Name English
HETISAN-2,11,13,14-TETROL, 2,13-DIACETATE, (2.ALPHA.,11.ALPHA.,13R)-
Systematic Name English
Acehytisine [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
A4KU64WAU2
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID10930460
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
CAS
1394-48-5
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
PUBCHEM
131847650
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
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