Chem
J-GLOBAL ID：200907039089993710   Nikkaji number：J1.857.817D

Rubianol-e

ルビアノール-e
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： C34H54O7
Molecular formula furigana： C34-H54-O7
Molecular weight： 574.799
InChI： InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3/t22-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33+,34+/m0/s1
InChI key： OLOLVKCRAVUVOL-GGGLRNFQSA-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](C[C@]4(C)C3=CC[C@]21C)OC(=O)C
Systematic name  (4)：
  • 3β,7β,19α-トリヒドロキシ-2α,28-ジアセトキシ-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2,28-ジアセタート
  • [(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-10-(アセチルオキシ)-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,9R,10R,11aS,13aR,13bR)-10-(acetyloxy)-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-2α,28-diacetoxy-5α-arbora-9(11)-ene
  • 5α-Arbora-9(11)-ene-2α,3β,7β,19α,28-pentol 2,28-diacetate
  • ルビアノール-e
  • Rubianol-e
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