COMPOUND: C15350
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Entry
C15350 Compound
Name
Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.5085
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396347
ChEBI:
79852
NIKKAJI:
J2.793.958I
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KCF data
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ATOM 28
1 C1y C 28.2332 -19.3833
2 C1y C 27.0605 -20.0568
3 C1z C 28.2391 -18.0365
4 C1x C 30.5609 -19.4126
5 C1y C 25.8936 -19.3660
6 C1x C 27.0605 -21.4096
7 C1x C 27.0837 -17.3512
8 C1x C 29.4178 -17.3745
9 C1a C 28.2332 -16.6836
10 C1y C 30.5790 -18.0653
11 C8y C 24.7150 -20.0453
12 C1x C 25.9054 -18.0188
13 C1x C 25.8818 -22.0774
14 C8y C 24.7092 -21.3980
15 C8x C 23.5421 -19.3660
16 C8x C 23.5421 -22.0715
17 C8x C 22.3057 -20.0453
18 C8y C 22.2995 -21.3980
19 O7a O 21.1084 -22.1040
20 O7a O 31.8113 -17.3756
21 C7a C 19.9189 -21.4352
22 C1b C 18.7443 -22.1315
23 O6a O 19.9724 -20.0208
24 C7a C 32.9843 -18.0738
25 C1b C 34.2008 -17.3929
26 O6a O 32.9658 -19.4600
27 C1a C 17.5311 -21.4494
28 C1a C 35.4103 -18.1130
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 2
14 11 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 7 12 1
19 8 10 1
20 13 14 1
21 17 18 1
22 18 19 1
23 10 20 1 #Down
24 19 21 1
25 21 22 1
26 21 23 2
27 20 24 1
28 24 25 1
29 24 26 2
30 22 27 1
31 25 28 1
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