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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O6
Molecular Weight 442.5446
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINOBUFAGIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](OC(C)=O)[C@H]5O[C@@]345)C6=COC(=O)C=C6)[C@@]1(C)CC[C@H](O)C2

InChI

InChIKey=SCULJPGYOQQXTK-OLRINKBESA-N
InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H34O6
Molecular Weight 442.5446
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:52 UTC 2023
Edited
by admin
on Sat Dec 16 11:22:52 UTC 2023
Record UNII
T9PSN4R8IR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINOBUFAGIN
Common Name English
BUFA-20,22-DIENOLIDE, 16-(ACETYLOXY)-14,15-EPOXY-3-HYDROXY-, (3- .BETA.,5-.BETA.,15-.BETA.,16-.BETA.)-
Systematic Name English
Cinobufagin [WHO-DD]
Common Name English
NSC-90325
Code English
Classification Tree Code System Code
NCI_THESAURUS C274
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
NCI_THESAURUS C45653
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
Code System Code Type Description
PUBCHEM
11969542
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID701026953
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
FDA UNII
T9PSN4R8IR
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
WIKIPEDIA
Cinobufagin
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
CAS
470-37-1
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
NSC
90325
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
NCI_THESAURUS
C95021
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY NCIT
SMS_ID
300000032705
Created by admin on Sat Dec 16 11:22:52 UTC 2023 , Edited by admin on Sat Dec 16 11:22:52 UTC 2023
PRIMARY
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