Chem
J-GLOBAL ID：200907052803105677   Nikkaji number：J1.900.428G

Rubianol-a

ルビアノール-a
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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-24,31-34H,9-15H2,1-7H3/t18-,19-,20+,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChI key： ZAGSMKWHSPITNU-AZAFKCFLSA-N
SMILES： CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)[C@H](O)C[C@]4(C)C3=CC[C@]21C
Systematic name  (3)：
  • 2α,7β,19α,28-テトラヒドロキシ-5α-アルボラ-9(11)-エン-3-オン
  • (1R,3S,3aR,5aS,5bS,6S,7aR,10R,11aS,13aR,13bR)-1,6,10-トリヒドロキシ-3a-(ヒドロキシメチル)-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-9-オン
  • (1R,3S,3aR,5aS,5bS,6S,7aR,10R,11aS,13aR,13bR)-1,6,10-trihydroxy-3a-(hydroxymethyl)-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-9-one
Other name (3)：
  • 2α,7β,19α,28-Tetrahydroxy-5α-arbora-9(11)-ene-3-one
  • ルビアノール-a
  • Rubianol-a
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