COMPOUND: C17447
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Entry
C17447 Compound
Name
(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol;
(+)-Falcarinol
Formula
C17H24O
Exact mass
244.1827
Mol weight
244.3719
Structure
Mol file
KCF file
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Other DBs
CAS:
81203-57-8
PubChem:
96023797
ChEBI:
81095
NIKKAJI:
J11.508H
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KCF data
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ATOM 18
1 C3b C 39.1300 -24.3600
2 C3b C 37.7300 -24.3600
3 C3b C 40.5300 -24.3600
4 C1b C 36.4000 -24.3600
5 C3b C 41.9300 -24.3600
6 C2b C 35.2100 -25.0600
7 C1c C 43.3300 -24.3600
8 C2b C 33.7400 -25.0600
9 C2b C 44.5200 -25.0600
10 O1a O 43.3300 -22.8900
11 C1b C 32.4800 -24.3600
12 C2a C 45.7100 -24.3600
13 C1b C 31.2900 -25.0600
14 C1b C 30.1000 -24.3600
15 C1b C 28.9100 -25.0600
16 C1b C 27.7200 -24.3600
17 C1b C 26.5300 -25.0600
18 C1a C 25.2700 -24.3600
BOND 17
1 1 2 3
2 1 3 1
3 2 4 1
4 3 5 3
5 4 6 1
6 5 7 1
7 6 8 2
8 7 9 1
9 7 10 1 #Up
10 8 11 1
11 9 12 2
12 11 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
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