1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]et...
C27H44O2.H2O
63283-36-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 12.0765 3.2237 0.0 0
M  V30 2 C 13.1477 5.6507 0.0 0 CFG=2
M  V30 3 C 14.4814 4.8806 0.0 0
M  V30 4 C 13.1477 7.1907 0.0 0
M  V30 5 C 15.8152 5.6507 0.0 0
M  V30 6 C 17.1489 4.8806 0.0 0
M  V30 7 C 18.4826 5.6507 0.0 0
M  V30 8 C 17.7125 6.9843 0.0 0
M  V30 9 C 19.8162 6.4207 0.0 0
M  V30 10 O 19.2526 4.3168 0.0 0
M  V30 11 C 6.6685 4.6201 0.0 0
M  V30 12 C 5.3348 3.8501 0.0 0
M  V30 13 C 5.3348 6.9301 0.0 0
M  V30 14 O 0.0000 3.8501 0.0 0
M  V30 15 C 10.6697 3.8501 0.0 0 CFG=1
M  V30 16 C 9.3358 4.6201 0.0 0 CFG=1
M  V30 17 C 11.8141 4.8806 0.0 0 CFG=1
M  V30 18 C 10.6697 2.3100 0.0 0
M  V30 19 C 8.0022 3.8501 0.0 0
M  V30 20 C 9.6560 6.1265 0.0 0
M  V30 21 C 11.1877 6.2875 0.0 0
M  V30 22 C 9.3358 1.5400 0.0 0
M  V30 23 C 8.0022 2.3100 0.0 0
M  V30 24 C 4.0010 4.6201 0.0 0
M  V30 25 C 4.0010 6.1601 0.0 0
M  V30 26 C 2.6673 3.8501 0.0 0
M  V30 27 C 2.6673 6.9301 0.0 0
M  V30 28 C 1.3337 4.6201 0.0 0 CFG=1
M  V30 29 C 1.3337 6.1601 0.0 0
M  V30 30 H 8.0900 5.5253 0.0 0
M  V30 31 H 12.7193 3.6346 0.0 0
M  V30 32 O 9.9081 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 15 1 CFG=3
M  V30 2 1 2 3
M  V30 3 1 2 4 CFG=3
M  V30 4 1 2 17
M  V30 5 1 3 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 11 12
M  V30 12 2 11 19
M  V30 13 2 12 24
M  V30 14 2 13 25
M  V30 15 1 28 14 CFG=1
M  V30 16 1 15 16
M  V30 17 1 15 17
M  V30 18 1 15 18
M  V30 19 1 16 19
M  V30 20 1 16 20
M  V30 21 1 16 30 CFG=1
M  V30 22 1 17 21
M  V30 23 1 17 31 CFG=1
M  V30 24 1 18 22
M  V30 25 1 19 23
M  V30 26 1 20 21
M  V30 27 1 22 23
M  V30 28 1 24 25
M  V30 29 1 24 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 1 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(5 2 15 16 17 28)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
63283-36-3

> <cas.index.name>
1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-, hydrate (1:1), (εR,1R,3aS,4E,7aR)-

> <molecular.formula>
C27H44O2.H2O

> <molecular.weight>
418.65

$$$$
