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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H40O4
Molecular Weight 440.6148
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAGESTRONE ACETATE

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C=C(CC[C@]34C)OC5CCCC5

InChI

InChIKey=NSRLWNNZHGRGJS-JVACCQEYSA-N
InChI=1S/C28H40O4/c1-18(29)28(32-19(2)30)16-13-25-23-10-9-20-17-22(31-21-7-5-6-8-21)11-14-26(20,3)24(23)12-15-27(25,28)4/h9,17,21,23-25H,5-8,10-16H2,1-4H3/t23-,24+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H40O4
Molecular Weight 440.6148
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3Y30374T6H
Record Status Validated (UNII)
Record Version