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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29NO5S
Molecular Weight 467.577
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Estradiol 3-saccharinylmethyl ether

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(OCN5C(=O)C6=CC=CC=C6S5(=O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=QNUCLUWOICXPIY-QETBJLDASA-N
InChI=1S/C26H29NO5S/c1-26-13-12-19-18-9-7-17(14-16(18)6-8-20(19)22(26)10-11-24(26)28)32-15-27-25(29)21-4-2-3-5-23(21)33(27,30)31/h2-5,7,9,14,19-20,22,24,28H,6,8,10-13,15H2,1H3/t19-,20-,22+,24+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H29NO5S
Molecular Weight 467.577
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
AEF2Q624EL
Record Status Validated (UNII)
Record Version