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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H54N2O4
Molecular Weight 542.7929
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.BETA.,16.BETA.-BIS(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIYL DIACETATE

SMILES

[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](OC(C)=O)[C@H](C[C@]34C)N5CCCCC5)N6CCCCC6

InChI

InChIKey=CSXHRHGXNQSNQW-ZZZJANDJSA-N
InChI=1S/C33H54N2O4/c1-22(36)38-30-19-24-11-12-25-26(33(24,4)21-29(30)35-17-9-6-10-18-35)13-14-32(3)27(25)20-28(31(32)39-23(2)37)34-15-7-5-8-16-34/h24-31H,5-21H2,1-4H3/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H54N2O4
Molecular Weight 542.7929
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N738KO204J
Record Status Validated (UNII)
Record Version