COMPOUND: C08525
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Entry
C08525 Compound
Name
Crinamine;
(3alpha,5alpha,11R,13beta,19alpha)-1, 2-Didehydro-3-methoxycrinan-11-ol
Formula
C17H19NO4
Exact mass
301.1314
Mol weight
301.3371
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C08525 Crinamine
BRITE hierarchy
Other DBs
CAS:
639-41-8
PubChem:
10718
ChEBI:
3914
KNApSAcK:
C00001569
3DMET:
B02195
NIKKAJI:
J22.568A
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KCF data
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ATOM 22
1 C1z C 27.1253 -17.4120
2 C8y C 25.9805 -18.0311
3 C1y C 28.2294 -18.0953
4 C1y C 28.2876 -16.7518
5 C2x C 27.1778 -16.0042
6 C8y C 25.9455 -19.3278
7 C8x C 24.8648 -17.3593
8 N1y N 28.2001 -19.3920
9 C1x C 29.3683 -17.4704
10 C1x C 29.3624 -18.7261
11 O1a O 30.9279 -17.6515
12 C2x C 28.2876 -15.5019
13 C1x C 27.0551 -20.0112
14 C8x C 24.8123 -19.9528
15 C8y C 23.7200 -17.9903
16 C1y C 29.3975 -16.1795
17 C8y C 23.7083 -19.2869
18 O2x O 22.4992 -17.5637
19 O2a O 30.5657 -15.5253
20 O2x O 22.4642 -19.6665
21 C1x C 21.7165 -18.6034
22 C1a C 31.7281 -16.1912
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
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 4 11 1 #Up
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 2
15 9 16 1
16 14 17 2
17 15 18 1
18 16 19 1 #Down
19 17 20 1
20 18 21 1
21 19 22 1
22 8 10 1 #Down
23 8 13 1
24 12 16 1
25 15 17 1
26 20 21 1
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