COMPOUND: C15280
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Entry
C15280 Compound
Name
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone;
16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone
Formula
C25H36O4
Exact mass
400.2614
Mol weight
400.5509
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396277
ChEBI:
79782
NIKKAJI:
J2.793.194D
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KCF data
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ATOM 29
1 C1x C 25.2216 -21.7582
2 C5x C 25.2216 -23.1130
3 C2x C 26.3949 -23.7902
4 C2y C 27.5679 -23.1130
5 C1z C 27.5679 -21.7582
6 C1x C 26.3949 -21.0808
7 C1y C 28.7413 -23.7902
8 C1x C 29.9144 -23.1130
9 C1y C 29.9144 -21.7582
10 C1y C 28.7413 -21.0808
11 C1y C 31.0877 -21.0808
12 C1z C 31.0877 -19.7263
13 C1x C 29.9144 -19.0490
14 C1x C 28.7413 -19.7263
15 C1x C 33.4340 -21.0808
16 C1y C 33.4340 -19.7263
17 C1z C 32.2609 -19.0490
18 C1a C 31.1146 -18.3716
19 C1a C 27.5649 -20.3645
20 O5x O 24.0237 -23.8048
21 C5a C 32.2605 -17.6284
22 O5a O 31.0667 -16.9396
23 C1a C 33.4796 -16.9242
24 O2x O 33.4617 -18.3249
25 O2x O 34.8546 -19.7179
26 C1z C 34.8546 -18.3249
27 C1a C 36.1416 -18.8579
28 C1a C 35.5546 -17.1125
29 C1a C 28.7412 -25.1997
BOND 33
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 5 19 1 #Up
23 2 20 2
24 17 21 1 #Up
25 21 22 2
26 21 23 1
27 17 24 1 #Down
28 16 25 1 #Down
29 24 26 1
30 25 26 1
31 26 27 1
32 26 28 1
33 7 29 1 #Down
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