U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H52O
Molecular Weight 440.744
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILIACIN

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]5(C)CCC(C)(C)C=C25

InChI

InChIKey=YZBNXQLCEJJXSC-LZBBLKFASA-N
InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21-,23+,24-,25+,28-,29+,30-,31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MILIACIN
Common Name English
OLEAN-18-ENE, 3-METHOXY-, (3.BETA.)-
Systematic Name English
(3.BETA.)-3-METHOXYOLEAN-18-ENE
Common Name English
Classification Tree Code System Code
DSLD 3721 (Number of products:1)
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
Code System Code Type Description
FDA UNII
4V0WZN086V
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID80974856
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
CAS
5945-45-9
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY
PUBCHEM
15560540
Created by admin on Sat Dec 16 16:43:08 GMT 2023 , Edited by admin on Sat Dec 16 16:43:08 GMT 2023
PRIMARY