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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H44O2
Molecular Weight 388.6264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BO-653

SMILES

CCCCCC1(CCCCC)CC2=C(C(O)=C(C=C2O1)C(C)(C)C)C(C)(C)C

InChI

InChIKey=AGURKSYKTJQPNA-UHFFFAOYSA-N
InChI=1S/C26H44O2/c1-9-11-13-15-26(16-14-12-10-2)18-19-21(28-26)17-20(24(3,4)5)23(27)22(19)25(6,7)8/h17,27H,9-16,18H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C26H44O2
Molecular Weight 388.6264
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
2VSP9T5LRX
Record Status Validated (UNII)
Record Version