Cas no 153415-39-5 ([(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate)

[(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate structure
153415-39-5 structure
Product Name:[(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
CAS No:153415-39-5
MF:C27H38O9
MW:506.58522939682
CID:219742
Update Time:2024-03-01

[(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(1R,4aR,5S,6S,8S,8aR)-8a-[(acetyloxy)methyl]-5-[(1S)-2-(2,5-dihydro-5-oxo-3-furanyl)-1-hydroxyethyl]octahydro-6-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-8-ylester, (2E)-
    • 2-Butenoic acid,2-methyl-,(1R,4aR,5S,6S,8S,8aR)-8a-[(acetyloxy)methyl]-5-[(1S)-2-(2,5-dihydro-5-oxo-3-furanyl)-1-hydroxyethyl
    • 2-Butenoic acid,2-methyl-,(1R,4aR,5S,6S,8S,8aR)-8a-[(acetyloxy)methyl]-5-[(1S)-2-(2,5-dihydro-5-oxo-3-furanyl)-1-hydroxyethyl]octahydro-6-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-8-ylest
    • 2-Butenoicacid, 2-methyl-,8a-[(acetyloxy)methyl]-5-[2-(2,5-dihydro-5-oxo-3-furanyl)-1-hydroxyethyl]octahydro-6-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-8-ylester, [1R-[1a,4ab,5b(S*),6b,8a(E),8aa]]-
    • Scutalpin C
    • Spiro[naphthalene-1(2H),2'-oxirane], 2-butenoicacid deriv.
    • [(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl
    • [(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
    • Inchi： 1S/C27H38O9/c1-6-16(2)23(31)36-21-12-24(4,32)25(5,20(29)10-18-11-22(30)33-13-18)19-8-7-9-26(14-35-26)27(19,21)15-34-17(3)28/h6,11,19-21,29,32H,7-10,12-15H2,1-5H3/b16-6+/t19-,20+,21+,24+,25+,26+,27+/m1/s1
    • InChI Key： NBURIQQSSONYID-ZGJQKLIZSA-N
    • SMILES： O1C[C@@]21CCC[C@@H]1[C@@](C)([C@H](CC3=CC(=O)OC3)O)[C@](C)(C[C@@H]([C@]12COC(C)=O)OC(/C(=C/C)/C)=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 9
  • Complexity: 1000
  • Topological Polar Surface Area: 132

[(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate Related Literature

Related Categories

153415-39-5 ([(1S,3S,4S,4Ar,8R,8aR)-8a-(acetyloxymethyl)-3-hydroxy-4-[(1S)-1-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate) Related Products

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