COMPOUND: C15454
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Entry
C15454 Compound
Name
Hexestrol monomethyl ether;
(R*,S*)-4-[1-Ethyl-2-(4-methoxyphenyl)butyl]phenol
Formula
C19H24O2
Exact mass
284.1776
Mol weight
284.3927
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396451
ChEBI:
79952
NIKKAJI:
J2.794.486H
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KCF data
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ATOM 21
1 C8x C 31.8734 -23.7404
2 C8y C 33.0059 -23.0177
3 C8x C 33.0496 -21.6126
4 C8x C 31.8246 -20.9361
5 C8y C 30.6222 -21.6588
6 C8x C 30.5748 -23.0580
7 C1c C 29.4058 -20.9829
8 C1c C 29.4295 -19.5830
9 C8y C 28.2101 -18.9023
10 C8x C 28.1900 -17.5059
11 C8x C 26.9707 -16.8252
12 C8y C 25.7716 -17.5407
13 C8x C 25.7917 -18.9370
14 C8x C 27.0109 -19.6179
15 C1b C 30.6335 -18.8629
16 C1b C 28.2023 -21.7041
17 O1a O 24.5466 -16.8568
18 C1a C 31.8590 -19.5456
19 C1a C 26.9761 -21.0227
20 O2a O 34.2539 -23.7274
21 C1a C 35.4427 -23.0305
BOND 22
1 4 5 1
2 5 6 2
3 6 1 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 13 1
8 13 14 2
9 14 9 1
10 5 7 1
11 8 15 1 #Up
12 1 2 2
13 7 16 1 #Down
14 7 8 1
15 12 17 1
16 2 3 1
17 8 9 1
18 15 18 1
19 3 4 2
20 16 19 1
21 2 20 1
22 20 21 1
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