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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O3
Molecular Weight 356.4984
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL-17-TETRAHYDROPYRANYL ETHER

SMILES

[H][C@@]12CC[C@H](OC3CCCCO3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(O)C=C5

InChI

InChIKey=DRRJWMXJIVWKKW-CUFSGNDSSA-N
InChI=1S/C23H32O3/c1-23-12-11-18-17-8-6-16(24)14-15(17)5-7-19(18)20(23)9-10-21(23)26-22-4-2-3-13-25-22/h6,8,14,18-22,24H,2-5,7,9-13H2,1H3/t18-,19-,20+,21+,22?,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H32O3
Molecular Weight 356.4984
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
OEU4S60XOJ
Record Status Validated (UNII)
Record Version