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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O
Molecular Weight 286.4516
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FERRUGINOL

SMILES

[H][C@@]12CCC3=C(C=C(O)C(=C3)C(C)C)[C@@]1(C)CCCC2(C)C

InChI

InChIKey=QXNWVJOHUAQHLM-AZUAARDMSA-N
InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O
Molecular Weight 286.4516
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N2CMM6X37M
Record Status Validated (UNII)
Record Version