Chem
J-GLOBAL ID：200907048447542636   Nikkaji number：J1.857.815H

Rubianol-c

ルビアノール-c
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： C32H52O5
Molecular formula furigana： C32-H52-O5
Molecular weight： 516.763
InChI： InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1
InChI key： QIFUZQYPSMCPOR-CRBXCGNKSA-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)CC[C@]4(C)C3=CC[C@]21C
Systematic name  (4)：
  • 3β,7β,19α-トリヒドロキシ-28-アセトキシ-5α-アルボラ-9(11)-エン
  • 5α-アルボラ-9(11)-エン-3β,7β,19α,28-テトラオール28-アセタート
  • [(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-1,6,9-トリヒドロキシ-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,9S,11aS,13aR,13bR)-1,6,9-trihydroxy-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)：
  • 3β,7β,19α-Trihydroxy-28-acetoxy-5α-arbora-9(11)-ene
  • 5α-Arbora-9(11)-ene-3β,7β,19α,28-tetrol 28-acetate
  • ルビアノール-c
  • Rubianol-c
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