Aphidicolin
C20H34O4
38966-21-1 Copyright (C) 2025 ACS
 27 30  0  0  1  0  0  0  0  0999 V2000
    6.5076    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0852    4.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5188    4.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0853    2.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5076    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1738    2.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5076    4.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2528    3.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7116    2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1738    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7116    5.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2130    5.2376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2130    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    2.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8402    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8812    3.8502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5065    0.7700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3924    6.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    3.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    6.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  2  3  1  0  0  0  0
 20  2  1  1  0  0  0
 20  4  1  6  0  0  0
  5  6  1  0  0  0  0
 23  5  1  1  0  0  0
 23  7  1  6  0  0  0
 24  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  6  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  6  0  0  0
 18 12  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 26  1  1  0  0  0
 15 22  1  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 18 27  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <cas.rn>
38966-21-1

> <cas.index.name>
8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-

> <molecular.formula>
C20H34O4

> <molecular.weight>
338.48

> <melting.point.experimental>
227-233 °C    Solvent: Ethyl acetate

> <boiling.point.predicted>
507.845±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.226±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.238±0.70    Most Acidic Temp: 25 °C

$$$$
