COMPOUND: C18380
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Entry
C18380 Compound
Name
Calcium levulinate anhydrous
Formula
C10H14CaO6
Exact mass
270.0416
Mol weight
270.2926
Structure
Mol file
KCF file
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Brite
Animal drugs in Japan [BR:
br08331
]
96 Agents affecting metabolism
963 Mineral and preparations
9631 Calcium compounds and preparations (except calcium iodid and calcium bromide)
C18380 Calcium levulinate
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CAS:
591-64-0
PubChem:
124489054
ChEBI:
81717
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KCF data
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ATOM 17
1 C1a C 32.7600 -19.6700
2 C5a C 31.6400 -19.0400
3 C1b C 30.4500 -19.6700
4 C1b C 29.2600 -19.0400
5 C7a C 28.1400 -19.6700
6 O7a O 26.9500 -19.0400 #-
7 O5a O 31.6400 -17.6400
8 O6a O 28.1400 -21.0000
9 C1a C 17.5700 -20.5800
10 C5a C 18.7600 -21.2100
11 C1b C 19.9500 -20.5800
12 C1b C 21.0700 -21.2100
13 C7a C 22.1900 -20.5800
14 O7a O 23.4500 -21.2100 #-
15 O5a O 18.7600 -22.5400
16 O6a O 22.1900 -19.1800
17 Z Ca 24.9900 -20.2300 #2+
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 2 7 2
7 5 8 2
8 9 10 1
9 10 11 1
10 11 12 1
11 12 13 1
12 13 14 1
13 10 15 2
14 13 16 2
15 14 17 1
16 6 17 1
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