92095
  -OEChem-11232513122D

 74 79  0     1  0  0  0  0  0999 V2000
    5.5954   -2.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -1.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    2.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288   -0.8108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9258   -0.9778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3948   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3948    0.6892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3309   -1.8856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2888    1.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3196   -1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5288    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -1.0845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1949    0.7101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2888   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396   -2.0515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1949   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2637    2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -3.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    2.3303    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
 17  1  1  1  0  0  0
  2 17  1  0  0  0  0
  2 28  1  0  0  0  0
 26  3  1  6  0  0  0
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 17 25  1  0  0  0  0
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 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
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 22 55  1  0  0  0  0
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 23 58  1  0  0  0  0
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 27 67  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
92095

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
694

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAaIAAAA0YMEAAAASAGDAAAAAGgAACAAADxSggAICCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAQEAIAAAAiQAAEAAAEAAHA4PwPgAAAAAAAAADAAAYAACAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-oxane]ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>S</I>,6<I>R</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>S</I>,16<I>S</I>,18<I>R</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icosane-6,2&apos;-oxane]-16-ol

> <PUBCHEM_IUPAC_NAME>
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-tetrahydropyran]-16-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GMBQZIIUCVWOCD-WWASVFFGSA-N

> <PUBCHEM_XLOGP3_AA>
6.5

> <PUBCHEM_EXACT_MASS>
416.32904526

> <PUBCHEM_MOLECULAR_FORMULA>
C27H44O3

> <PUBCHEM_MOLECULAR_WEIGHT>
416.6

> <PUBCHEM_SMILES>
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1

> <PUBCHEM_CONNECTIVITY_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
416.32904526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
12

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  1  5
10  22  6
14  23  5
15  43  6
29  30  6
26  3  6
4  19  6
5  31  5
6  32  5
7  33  6
8  34  5
9  35  5

$$$$
