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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O4
Molecular Weight 344.4446
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-OXODEHYDROEPIANDROSTERONE 3-ACETATE

SMILES

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

InChI

InChIKey=VVSMJVQHDZUPIL-XFKPDKBWSA-N
InChI=1S/C21H28O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-16,19H,4-10H2,1-3H3/t14-,15-,16-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O4
Molecular Weight 344.4446
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

PubMed

Substance Class Chemical
Record UNII
84RQ0XOM11
Record Status Validated (UNII)
Record Version