(3R,3aS,9R,9aS,9bS)-3-[(Dimethylamino)methyl]-3a,4,5,7,8,9,9a,9b-octahydro-9-...
C17H27NO3
1403357-81-2 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  24 26 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.8100 6.3975 0.0 0
M  V30 2 O 2.7794 5.7899 0.0 0
M  V30 3 C 7.6894 2.5720 0.0 0
M  V30 4 N 9.0230 3.3420 0.0 0
M  V30 5 C 9.0230 4.8820 0.0 0
M  V30 6 C 10.3568 2.5720 0.0 0
M  V30 7 O 7.3392 5.9041 0.0 0
M  V30 8 C 0.7822 0.0000 0.0 0
M  V30 9 C 3.9184 3.8600 0.0 0 CFG=1
M  V30 10 C 2.3812 3.7679 0.0 0 CFG=1
M  V30 11 C 4.9488 2.7156 0.0 0 CFG=1
M  V30 12 O 4.6884 5.1937 0.0 0
M  V30 13 C 1.4947 2.5087 0.0 0
M  V30 14 C 1.4575 5.0002 0.0 0 CFG=1
M  V30 15 C 6.3557 3.3420 0.0 0 CFG=2
M  V30 16 C 4.6965 1.1964 0.0 0
M  V30 17 C 6.1948 4.8735 0.0 0
M  V30 18 C 0.0231 2.9627 0.0 0
M  V30 19 C 1.9265 1.0304 0.0 0
M  V30 20 C 0.0000 4.5023 0.0 0
M  V30 21 C 3.3515 0.4464 0.0 0
M  V30 22 H 3.7384 5.3895 0.0 0
M  V30 23 H 3.0286 5.1653 0.0 0
M  V30 24 H 6.1671 1.7736 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 14 1 CFG=3
M  V30 2 1 14 2 CFG=1
M  V30 3 1 3 4
M  V30 4 1 15 3 CFG=1
M  V30 5 1 4 5
M  V30 6 1 4 6
M  V30 7 2 7 17
M  V30 8 1 8 19
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 9 22 CFG=3
M  V30 13 1 10 13
M  V30 14 1 10 14
M  V30 15 1 10 23 CFG=1
M  V30 16 1 11 15
M  V30 17 1 11 16
M  V30 18 1 11 24 CFG=1
M  V30 19 1 12 17
M  V30 20 1 13 18
M  V30 21 2 13 19
M  V30 22 1 14 20
M  V30 23 1 15 17
M  V30 24 1 16 21
M  V30 25 1 18 20
M  V30 26 1 19 21
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(5 9 10 11 14 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1403357-81-2

> <cas.index.name>
Azuleno[4,5-b]furan-2(3H)-one, 3-[(dimethylamino)methyl]-3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-, (3R,3aS,9R,9aS,9bS)-

> <molecular.formula>
C17H27NO3

> <molecular.weight>
293.40

> <melting.point.experimental>
118-120 °C

> <boiling.point.predicted>
442.2±40.0 °C    Press: 760 Torr

> <density.predicted>
1.14±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.66±0.60    Most Acidic Temp: 25 °C

$$$$
