Nimbolide
C27H30O7
25990-37-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  38 43 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.6154 2.6359 0.0 0
M  V30 2 C 0.1529 5.7680 0.0 0
M  V30 3 C 6.2048 2.6673 0.0 0
M  V30 4 C 7.7448 2.6673 0.0 0
M  V30 5 O 8.5148 1.3336 0.0 0
M  V30 6 O 8.5148 4.0011 0.0 0
M  V30 7 C 7.7448 0.0000 0.0 0
M  V30 8 O 3.7169 1.3239 0.0 0
M  V30 9 O 0.0000 7.6653 0.0 0
M  V30 10 C 7.1211 4.0853 0.0 0
M  V30 11 C 9.4660 3.5518 0.0 0
M  V30 12 C 3.1618 5.3278 0.0 0 CFG=2
M  V30 13 C 3.8836 3.9910 0.0 0 CFG=1
M  V30 14 C 3.8746 6.6542 0.0 0 CFG=1
M  V30 15 C 1.6617 5.4593 0.0 0 CFG=2
M  V30 16 C 5.4348 4.0011 0.0 0 CFG=1
M  V30 17 C 3.0244 2.6995 0.0 0
M  V30 18 C 5.4286 6.6543 0.0 0 CFG=1
M  V30 19 O 2.7401 7.7268 0.0 0
M  V30 20 C 1.3871 6.9962 0.0 0
M  V30 21 C 0.8091 4.1600 0.0 0
M  V30 22 C 6.2131 5.3292 0.0 0 CFG=1
M  V30 23 C 1.4867 2.7777 0.0 0
M  V30 24 O 6.4466 7.8099 0.0 0
M  V30 25 C 7.7158 5.6656 0.0 0
M  V30 26 C 7.8601 7.1989 0.0 0 CFG=2
M  V30 27 C 9.1294 5.0546 0.0 0
M  V30 28 C 9.3630 7.5353 0.0 0
M  V30 29 C 10.1475 6.2102 0.0 0 CFG=2
M  V30 30 C 11.6807 6.0659 0.0 0
M  V30 31 C 12.4650 4.7406 0.0 0
M  V30 32 C 12.6986 7.2215 0.0 0
M  V30 33 C 13.9679 5.0772 0.0 0
M  V30 34 O 14.1122 6.6104 0.0 0
M  V30 35 H 2.3158 4.0409 0.0 0
M  V30 36 H 3.7858 8.1917 0.0 0
M  V30 37 H 5.1795 8.1741 0.0 0
M  V30 38 H 8.0046 8.7321 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 13 1 CFG=3
M  V30 2 1 15 2 CFG=3
M  V30 3 1 3 4
M  V30 4 1 16 3 CFG=3
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 5 7
M  V30 8 2 8 17
M  V30 9 2 9 20
M  V30 10 1 22 10 CFG=3
M  V30 11 1 11 27
M  V30 12 1 12 13
M  V30 13 1 12 14
M  V30 14 1 12 15
M  V30 15 1 12 35 CFG=1
M  V30 16 1 13 16
M  V30 17 1 13 17
M  V30 18 1 14 18
M  V30 19 1 14 19
M  V30 20 1 14 36 CFG=3
M  V30 21 1 15 20
M  V30 22 1 15 21
M  V30 23 1 16 22
M  V30 24 1 17 23
M  V30 25 1 18 22
M  V30 26 1 18 24
M  V30 27 1 18 37 CFG=3
M  V30 28 1 19 20
M  V30 29 2 21 23
M  V30 30 1 22 25
M  V30 31 1 24 26
M  V30 32 1 25 26
M  V30 33 2 25 27
M  V30 34 1 26 28
M  V30 35 1 26 38 CFG=1
M  V30 36 1 27 29
M  V30 37 1 28 29
M  V30 38 1 29 30 CFG=1
M  V30 39 1 30 31
M  V30 40 2 30 32
M  V30 41 2 31 33
M  V30 42 1 32 34
M  V30 43 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(9 12 13 14 15 16 18 22 26 29)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
25990-37-8

> <cas.index.name>
2H,5H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 8-(3-furanyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester, (2aR,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-

> <molecular.formula>
C27H30O7

> <molecular.weight>
466.52

> <melting.point.experimental>
245-247 °C

> <boiling.point.predicted>
608.6±55.0 °C    Press: 760 Torr

> <density.predicted>
1.32±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
