Mrv0541 05061307592D          

 31 33  0  0  0  0            999 V2000
    6.1721    6.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833    6.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    5.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    1.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1721    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    6.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    3.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    5.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    5.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    3.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    3.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742    3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7592    2.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1721    4.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    4.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896    3.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    4.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 11 10  1  0  0  0  0
 14  3  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  2  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
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 22 15  1  0  0  0  0
 24  7  1  0  0  0  0
 24 13  1  0  0  0  0
 24 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 13  1  0  0  0  0
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 25 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 29 12  1  0  0  0  0
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 31 20  1  0  0  0  0
 31 22  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028683

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C=C(/C)C(=O)OC1C2C(CCC(C)C2(C)CC11C(=C)COC1=O)OC(=O)C(\C)=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O6/c1-8-14(3)21(26)30-18-11-10-16(5)24(7)13-25(17(6)12-29-23(25)28)20(19(18)24)31-22(27)15(4)9-2/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8+,15-9+

> <INCHI_KEY>
SRBBDMVRDLLMJD-VOMDNODZSA-N

> <FORMULA>
C25H34O6

> <MOLECULAR_WEIGHT>
430.5339

> <EXACT_MASS>
430.23553882

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
47.25696826868398

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7,7a-dimethyl-4-{[(2E)-2-methylbut-2-enoyl]oxy}-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-3-yl (2E)-2-methylbut-2-enoate

> <ALOGPS_LOGP>
4.71

> <JCHEM_LOGP>
5.283615227333334

> <ALOGPS_LOGS>
-5.62

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.463666396034274

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
117.145

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,7a-dimethyl-4-{[(2E)-2-methylbut-2-enoyl]oxy}-4'-methylidene-2'-oxo-hexahydro-1H-spiro[indene-2,3'-oxolane]-3-yl (2E)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Homofukinolide

> <CAS>
41059-96-5

$$$$