COMPOUND: C09657
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Entry
C09657 Compound
Name
Dehydrojuvabione;
(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl ester
Formula
C16H24O3
Exact mass
264.1725
Mol weight
264.36
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Terpenoids
Sesquiterpenoids (C15)
Bisabolanes
C09657 Dehydrojuvabione
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Other DBs
CAS:
16060-78-9
PubChem:
11847
ChEBI:
4365
KNApSAcK:
C00003126
NIKKAJI:
J14.915B
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All DBs
KCF data
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ATOM 19
1 C1y C 27.4400 -18.8300
2 C1c C 28.6300 -18.1300
3 C1x C 27.4400 -20.2300
4 C1x C 26.1800 -18.1300
5 C1b C 29.8200 -18.8300
6 C1a C 28.6300 -16.7300
7 C1x C 26.2500 -20.9300
8 C2x C 24.9900 -18.8300
9 C5a C 31.0800 -18.1300
10 C2y C 24.9900 -20.2300
11 C2b C 32.2700 -18.8300
12 O5a O 31.0800 -16.7300
13 C7a C 23.8000 -20.9300
14 C2c C 33.4600 -18.1300
15 O7a O 22.6100 -20.2300
16 O6a O 23.8000 -22.3300
17 C1a C 34.7200 -18.8300
18 C1a C 33.4600 -16.7300
19 C1a C 21.3500 -20.9300
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 9 11 1
11 9 12 2
12 10 13 1
13 11 14 2
14 13 15 1
15 13 16 2
16 14 17 1
17 14 18 1
18 15 19 1
19 8 10 2
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