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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28O2
Molecular Weight 276.4137
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 19-NORETIOCHOLANOLONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H](O)CC[C@]34[H]

InChI

InChIKey=UOUIARGWRPHDBX-DHMVHTBWSA-N
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H28O2
Molecular Weight 276.4137
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
O5Z6602I6U
Record Status Validated (UNII)
Record Version