Chem
J-GLOBAL ID：200907058760979633   Nikkaji number：J1.857.816F

Rubianol-d

ルビアノール-d
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： C32H52O6
Molecular formula furigana： C32-H52-O6
Molecular weight： 532.762
InChI： InChI=1S/C32H52O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-27,34-37H,10-16H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,27-,29+,30-,31+,32+/m0/s1
InChI key： JBMKRBYWTDYYDW-AOKBUDSNSA-N
SMILES： CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(=O)C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]4(C)C3=CC[C@]21C
Systematic name  (4)：
  • 2α,3β,7β,19α-テトラヒドロキシ-28-アセトキシ-5α-アルボラ-9(11)-エン
  • 5α-アルボラ-9(11)-エン-2α,3β,7β,19α,28-ペンタオール28-アセタート
  • [(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-1,6,9,10-テトラヒドロキシ-5a,8,8,11a,13a-ペンタメチル-3-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-シクロペンタ[a]クリセン-3a-イル]メチル アセタート
  • [(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-1,6,9,10-tetrahydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysen-3a-yl]methyl acetate
Other name (4)：
  • 2α,3β,7β,19α-Tetrahydroxy-28-acetoxy-5α-arbora-9(11)-ene
  • 5α-Arbora-9(11)-ene-2α,3β,7β,19α,28-pentol 28-acetate
  • ルビアノール-d
  • Rubianol-d
Thsaurus map：
Thesaurus Map

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