COMPOUND: C12163
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Entry
C12163 Compound
Name
Powelline;
1,2-Didehydro-7-methoxycrinan-3arpha-ol
Formula
C17H19NO4
Exact mass
301.1314
Mol weight
301.3371
Structure
Mol file
KCF file
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Other DBs
CAS:
7363-25-9
PubChem:
14310
ChEBI:
68312
KNApSAcK:
C00024429
NIKKAJI:
J14.269G
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KCF data
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ATOM 22
1 C1z C 29.0386 -18.2235
2 C8y C 27.8517 -18.8983
3 C1y C 30.2074 -18.9165
4 C1x C 30.2134 -17.5307
5 C2x C 29.0506 -16.8619
6 C8y C 27.8396 -20.2599
7 C8x C 26.6707 -18.2115
8 N1y N 30.2074 -20.2781
9 C1x C 31.3943 -18.2476
10 C1x C 31.3823 -19.5912
11 C2x C 30.2375 -16.1992
12 C8y C 26.6648 -20.9408
13 C1x C 29.0204 -20.9529
14 C8y C 25.4899 -18.8923
15 C1y C 31.3423 -16.8860
16 C8y C 25.4899 -20.2599
17 O2a O 26.6587 -22.3024
18 O2x O 24.1945 -18.4706
19 O1a O 32.5872 -16.1932
20 O2x O 24.1945 -20.6757
21 C1a C 27.8335 -22.9833
22 C1x C 23.3933 -19.5731
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 2
14 9 15 1
15 12 16 2
16 12 17 1
17 14 18 1
18 15 19 1 #Down
19 16 20 1
20 17 21 1
21 18 22 1
22 8 10 1 #Up
23 8 13 1
24 11 15 1
25 14 16 1
26 20 22 1
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