Chem
J-GLOBAL ID:200907018637347647   Nikkaji number:J1.062.236K

Areptin B

アレプチンB
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: C31H44O11
Molecular formula furigana: C31-H44-O11
Molecular weight: 592.682
InChI: InChI=1S/C31H44O11/c1-8-16(2)13-37-24-25(41-20(6)34)27(35)31(15-39-31)30(14-38-18(4)32)23(40-19(5)33)11-17(3)29(7,26(24)30)22-12-21-9-10-36-28(21)42-22/h8-10,17,21-28,35H,11-15H2,1-7H3/t17-,21-,22?,23+,24-,25-,26-,27+,28+,29-,30-,31-/m1/s1
InChI key: RSIGSVUKLTUZCW-WNWHAOALSA-N
SMILES: CC=C(C)CO[C@@H]1[C@@H](OC(=O)C)[C@H](O)[C@]2(CO2)[C@]2(COC(=O)C)[C@H](C[C@@H](C)[C@](C)(C3C[C@H]4C=CO[C@H]4O3)[C@@H]12)OC(=O)C
Systematic name  (3):
  • (5α,8α,9S,10β,16S)-1β-(2-メチル-2-ブテニルオキシ)-2α,6α,18-トリアセトキシ-4α,19:11,16:15,16-トリスエポキシクレロダ-14-エン-3β-オール
  • [(1R,2S,3S,4S,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-2H,3H,3aH,6aH-フロ[2,3-b]フラン-2-イル]-3,8-ビス(アセチルオキシ)-2-ヒドロキシ-5,6-ジメチル-4-[(2-メチルブタ-2-エン-1-イル)オキシ]-オクタヒドロ-2H-スピロ[ナフタレン-1,2'-オキシラン]-8a-イル]メチル アセタート
  • [(1R,2S,3S,4S,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-[(2-methylbut-2-en-1-yl)oxy]-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-yl]methyl acetate
Other name (3):
  • (5α,8α,9S,10β,16S)-1β-(2-Methyl-2-butenyloxy)-2α,6α,18-triacetoxy-4α,19:11,16:15,16-trisepoxycleroda-14-ene-3β-ol
  • Areptin B
  • アレプチンB
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