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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36O3
Molecular Weight 408.5729
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORESTRATE

SMILES

[H][C@@]12CC[C@H](OC3=CCCCC3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(OC(=O)CC)C=C5

InChI

InChIKey=VYAXJSIVAVEVHF-RYIFMDQWSA-N
InChI=1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H36O3
Molecular Weight 408.5729
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

Description

Orestrate was developed as an estrogenic steroid that has never been marketed.

Approval Year

Substance Class Chemical
Record UNII
G9VC23W7W0
Record Status Validated (UNII)
Record Version