KEGG   COMPOUND: C11878
Entry
C11878                      Compound                               
Name
(-)-Abietadiene;
Abietadiene;
Abieta-7,13-diene;
(4aS,4bR,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Reaction
R06301 R06351
Pathway
map00904  Diterpenoid biosynthesis
map01062  Biosynthesis of terpenoids and steroids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.144     4.2.3.18
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C11878  (-)-Abietadiene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Abietanes
    C11878  (-)-Abietadiene
Other DBs
CAS: 35241-40-8
PubChem: 14040
ChEBI: 30232
LIPIDMAPS: LMPR0104050002
KNApSAcK: C00000868
NIKKAJI: J668.689C
LinkDB
KCF data

ATOM        20
            1   C2y C    28.3476  -18.9498
            2   C1x C    25.9070  -18.9459
            3   C1x C    27.1466  -18.2531
            4   C1y C    25.9072  -20.3451
            5   C1x C    25.8996  -23.1715
            6   C2x C    27.1248  -22.4566
            7   C1c C    29.5496  -18.2436
            8   C1y C    24.6891  -22.4613
            9   C1z C    24.7089  -21.0521
            10  C1x C    23.4982  -20.3306
            11  C1x C    22.2680  -21.0184
            12  C1x C    22.2483  -22.4276
            13  C1z C    23.4590  -23.1491
            14  C1a C    22.5321  -24.5444
            15  C1a C    24.6891  -19.6481
            16  C1a C    24.1407  -24.5537
            17  C2x C    28.3318  -20.3393
            18  C2y C    27.1248  -21.0305
            19  C1a C    29.5385  -16.8504
            20  C1a C    30.7453  -18.9348
BOND        22
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13   8 1
            7     9   4 1
            8     4  18 1
            9     3   2 1
            10   13  14 1
            11    1   7 1
            12    9  15 1 #Up
            13   13  16 1
            14    4   2 1
            15    1  17 2
            16    8   5 1
            17   17  18 1
            18    1   3 1
            19    7  19 1
            20    5   6 1
            21    7  20 1
            22   18   6 2

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