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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O4
Molecular Weight 372.4978
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16-ANHYDROGITOXIGENIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2

InChI

InChIKey=YGABECOLNBBTLH-OPBLIOOKSA-N
InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h7,11,15-16,18-19,24,26H,3-6,8-10,12-13H2,1-2H3/t15-,16+,18+,19-,21+,22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H32O4
Molecular Weight 372.4978
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:50:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:04 GMT 2023
Record UNII
1FT289KX2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-ANHYDROGITOXIGENIN
Common Name English
NSC-160845
Code English
CARDO-16,20(22)-DIENOLIDE, 3,14-DIHYDROXY-, (3BETA,5BETA)-
Common Name English
CARDA-16,20(22)-DIENOLIDE, 3,14-DIHYDROXY-, (3.BETA.,5.BETA.)-
Systematic Name English
.DELTA.16-ANHYDROGITOXIGENIN
Common Name English
Code System Code Type Description
CAS
2763-20-4
Created by admin on Sat Dec 16 19:50:04 GMT 2023 , Edited by admin on Sat Dec 16 19:50:04 GMT 2023
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FDA UNII
1FT289KX2B
Created by admin on Sat Dec 16 19:50:04 GMT 2023 , Edited by admin on Sat Dec 16 19:50:04 GMT 2023
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EPA CompTox
DTXSID20950290
Created by admin on Sat Dec 16 19:50:04 GMT 2023 , Edited by admin on Sat Dec 16 19:50:04 GMT 2023
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PUBCHEM
91809639
Created by admin on Sat Dec 16 19:50:04 GMT 2023 , Edited by admin on Sat Dec 16 19:50:04 GMT 2023
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NSC
160845
Created by admin on Sat Dec 16 19:50:04 GMT 2023 , Edited by admin on Sat Dec 16 19:50:04 GMT 2023
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