(2′S,3′R,6′R)-2′,3′-Dihydro-3′,6′-dihydroxy-2′-(hydroxymethyl)-2′,4′,6′-trime...
C15H20O4
1149-99-1 Copyright (C) 2024 ACS
 19 21  0  0  1  0  0  0  0  0999 V2000
    2.8736    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0132    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233    2.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1478    5.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    4.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1861    3.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2073    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.3259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6720    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770    3.0800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
 13  2  1  1  0  0  0
 13  3  1  6  0  0  0
  4 15  2  0  0  0  0
 17  5  1  1  0  0  0
  6  7  1  0  0  0  0
 19  6  1  6  0  0  0
 19  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <cas.rn>
1149-99-1

> <cas.index.name>
Spiro[cyclopropane-1,5′-[5H]inden]-7′(6′H)-one, 2′,3′-dihydro-3′,6′-dihydroxy-2′-(hydroxymethyl)-2′,4′,6′-trimethyl-, (2′S,3′R,6′R)-

> <molecular.formula>
C15H20O4

> <molecular.weight>
264.32

> <melting.point.experimental>
124-126 °C

> <boiling.point.predicted>
509.608±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.341±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.503±0.70    Most Acidic Temp: 25 °C

$$$$
