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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O5
Molecular Weight 402.5238
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFOGENIN B

SMILES

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

InChI

InChIKey=MWFCMSURKYLINK-QDLCSJEJSA-N
InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H34O5
Molecular Weight 402.5238
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:52:54 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:54 GMT 2023
Record UNII
0V5L6RJ023
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUFOGENIN B
MI  
Common Name English
DEACETYLBUFOTALIN
Common Name English
DESACETYLBUFOTALIN
Common Name English
3.BETA.,14,16.BETA.-TRIHYDROXY-5.BETA.,14.BETA.-BUFA-20,22-DIENOLIDE
Common Name English
16.BETA.-HYDROXYBUFALIN
Common Name English
(3.BETA.,5.BETA.,16.BETA.)-3,14,16-TRIHYDROXYBUFA-20,22-DIENOLIDE
Systematic Name English
BUFOGENIN B [MI]
Common Name English
BUFA-20,22-DIENOLIDE, 3,14,16-TRIHYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m91
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY Merck Index
FDA UNII
0V5L6RJ023
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY
PUBCHEM
12358889
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY
CAS
465-19-0
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY