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CAS Registry Number®
13529-31-2
CAS Name
Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-
Molecular Formula
C33H54N2O4
Molecular Mass
542.79
Compound Properties
-
Melting Point (1)
176-180 °C
Source(s)
- (1) NL6602098, 1966, CAplus
Other Names and Identifiers
InChI
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
InChIKey
InChIKey=CSXHRHGXNQSNQW-ZZZJANDJSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)N5CCCCC5)[H])[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Canonical SMILES
O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(N5CCCCC5)CC34)C2(C)CC1N6CCCCC6)C
Other Names for this Substance
- Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-
- 5α-Androstane-3α,17β-diol, 2β,16β-dipiperidino-, diacetate (ester)
- Androstane-3,17-diol, 2,16-di-1-piperidinyl-, diacetate (ester), (2β,3α,5α,16β,17β)-
- 2β,16β-Dipiperidino-5α-androstane-3α,17β-diol diacetate (ester)
- (2β,3α,5α,16β,17β)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane
- (2β,3α,5α,16β,17β)-2,16-Bis(piperidino)androstane-3,17-diol 3,17-diacetate
