KEGG   COMPOUND: C21681
Entry
C21681                      Compound                               

Name
(+)-Corvol ether B;
(1S,3R,5aR,6S,8aR)-3,6-Dimethyl-1-(propan-2-yl)hexahydro-1H,3H-3,8a-methanocyclopenta[c]oxepine
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Reaction
Enzyme
Other DBs
PubChem: 350078258
KCF data

ATOM        16
            1   C1x C    11.0600  -15.4700
            2   C1z C    11.0600  -16.8700
            3   C1x C    12.2724  -17.5700
            4   C1z C    13.4849  -16.8700
            5   C1y C    13.4849  -15.4700
            6   C1x C    12.2724  -14.7700
            7   C1x C    14.8164  -17.3026
            8   C1x C    15.6393  -16.1700
            9   C1y C    14.8164  -15.0374
            10  C1a C    15.2475  -13.7106
            11  O2x O    11.0600  -18.2700
            12  C1y C    13.4849  -18.2700
            13  C1c C    14.4871  -19.2726
            14  C1a C    15.8477  -18.9084
            15  C1a C    14.1303  -20.6030
            16  C1a C     9.6600  -16.8700
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 1 #Up
            12    2  11 1 #Down
            13    4  12 1 #Down
            14   11  12 1
            15   12  13 1
            16   13  14 1
            17   13  15 1
            18    2  16 1 #Up

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