Chem
J-GLOBAL ID:200907018245096131   Nikkaji number:J480.430I

7,7′-(Piperazine-1,4-diyl)bis(3β,5-dihydroxy-6-oxo-5α-cholestane)

7,7′-(ピペラジン-1,4-ジイル)ビス(3β,5-ジヒドロキシ-6-オキソ-5α-コレスタン)
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C58H98N2O6
Molecular formula furigana: C58-H98-N2-O6
Molecular weight: 919.430
InChI: InChI=1S/C58H98N2O6/c1-35(2)13-11-15-37(5)41-17-19-43-47-45(23-25-53(41,43)7)55(9)27-21-39(61)33-57(55,65)51(63)49(47)59-29-31-60(32-30-59)50-48-44-20-18-42(38(6)16-12-14-36(3)4)54(44,8)26-24-46(48)56(10)28-22-40(62)34-58(56,66)52(50)64/h35-50,61-62,65-66H,11-34H2,1-10H3/t37-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47+,48+,49?,50?,53-,54-,55-,56-,57+,58+/m1/s1
InChI key: YGXQWXYPGZKQOA-SSQVGJFDSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1(O)C(=O)C3N1CCN(CC1)C1[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]2(O)C1=O
Systematic name  (3):
  • 7,7′-(ピペラジン-1,4-ジイル)ビス(3β,5-ジヒドロキシ-6-オキソ-5α-コレスタン)
  • (1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-4-{4-[(1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-5a,7-ジヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-5-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-4-イル]ピペラジン-1-イル}-5a,7-ジヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5-オン
  • (1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-4-{4-[(1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-5-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl]piperazin-1-yl}-5a,7-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
Other name (1):
  • 7,7′-(Piperazine-1,4-diyl)bis(3β,5-dihydroxy-6-oxo-5α-cholestane)
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