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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O
Molecular Weight 424.7015
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-AMYRENONE

SMILES

[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=DIFWJJFSELKWGA-IPQOMUISSA-N
InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-AMYRENONE
Common Name English
.ALPHA.-AMYRONE
Common Name English
URS-12-EN-3-ONE
Common Name English
.ALPHA.-AMIRONE
Common Name English
3-KETOURS-12-ENE
Common Name English
3-OXOURS-12-ENE
Common Name English
.ALPHA.-AMIRENONE
Common Name English
Code System Code Type Description
FDA UNII
XLL7MH4OJO
Created by admin on Fri Dec 15 21:40:24 GMT 2023 , Edited by admin on Fri Dec 15 21:40:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID10980369
Created by admin on Fri Dec 15 21:40:24 GMT 2023 , Edited by admin on Fri Dec 15 21:40:24 GMT 2023
PRIMARY
CAS
638-96-0
Created by admin on Fri Dec 15 21:40:24 GMT 2023 , Edited by admin on Fri Dec 15 21:40:24 GMT 2023
PRIMARY
PUBCHEM
12306155
Created by admin on Fri Dec 15 21:40:24 GMT 2023 , Edited by admin on Fri Dec 15 21:40:24 GMT 2023
PRIMARY