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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O
Molecular Weight 426.7174
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMIARENOL

SMILES

[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]3(C)[C@@]4([H])CC=C5[C@@]([H])(CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]23C

InChI

InChIKey=XVXPXUMUGATHPD-JMJRLLIOSA-N
InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SIMIARENOL
Common Name English
D:B-FRIEDO-B':A'-NEOGAMMACER-5-EN-3-OL, (3BETA)-
Common Name English
.BETA.-SIMIARENOL
Common Name English
(-)-SIMIARENOL
Common Name English
E:B-FRIEDOHOP-5-EN-3.BETA.-OL
Common Name English
ADIAN-5-EN-3.BETA.-OL
Common Name English
SIMIAREN-3.BETA.-OL
Common Name English
Code System Code Type Description
PUBCHEM
12442794
Created by admin on Sat Dec 16 08:32:36 GMT 2023 , Edited by admin on Sat Dec 16 08:32:36 GMT 2023
PRIMARY
FDA UNII
6OU4M247SJ
Created by admin on Sat Dec 16 08:32:36 GMT 2023 , Edited by admin on Sat Dec 16 08:32:36 GMT 2023
PRIMARY
CAS
1615-94-7
Created by admin on Sat Dec 16 08:32:36 GMT 2023 , Edited by admin on Sat Dec 16 08:32:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID00167162
Created by admin on Sat Dec 16 08:32:36 GMT 2023 , Edited by admin on Sat Dec 16 08:32:36 GMT 2023
PRIMARY