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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 3-TETRAHYDROPYRANYL ETHER

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC5CCCCO5)C=C4

InChI

InChIKey=BOLMNLJKDBCJIB-CUFSGNDSSA-N
InChI=1S/C23H32O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/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
2UC9XAN8CV
Record Status Validated (UNII)
Record Version