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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O
Molecular Weight 426.7185
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBAUERENOL

SMILES

C[C@]1([H])CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@]2([H])[C@@]1([H])C)[C@@]5(C)CC[C@@]([H])(C(C)(C)[C@]5([H])CC4)O

InChI

InChIKey=FOAKGLWNANRWRP-BYFNOGOSSA-N
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h19-20,23-25,31H,9-18H2,1-8H3/t19-,20+,23+,24+,25-,27-,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H50O
Molecular Weight 426.7185
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 Jun 26 13:22:25 UTC 2021
Edited
by admin
on Sat Jun 26 13:22:25 UTC 2021
Record UNII
0NF8Y3FK9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBAUERENOL
Common Name English
8-BAUEREN-3-OL
Common Name English
3-PICENOL, 1,2,3,4,4A,5,6,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14B-EICOSAHYDRO-4,4,6B,8A,11,12,12B,14B-OCTAMETHYL-, (3S-(3.ALPHA.,4A.BETA.,6B.ALPHA.,8A.ALPHA.,11.BETA.,12.ALPHA.,12A.ALPHA.,12B.BETA.,14B.ALPHA.))-
Systematic Name English
D:C-FRIEDOURS-8-EN-3.BETA.-OL
Common Name English
(+)-ISOBAUERENOL
Common Name English
Code System Code Type Description
EPA CompTox
22149-71-9
Created by admin on Sat Jun 26 13:22:25 UTC 2021 , Edited by admin on Sat Jun 26 13:22:25 UTC 2021
PRIMARY
FDA UNII
0NF8Y3FK9J
Created by admin on Sat Jun 26 13:22:25 UTC 2021 , Edited by admin on Sat Jun 26 13:22:25 UTC 2021
PRIMARY
CAS
22149-71-9
Created by admin on Sat Jun 26 13:22:25 UTC 2021 , Edited by admin on Sat Jun 26 13:22:25 UTC 2021
PRIMARY
PUBCHEM
3084367
Created by admin on Sat Jun 26 13:22:25 UTC 2021 , Edited by admin on Sat Jun 26 13:22:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT