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Compound Report Overview

Compound Name: COLESTOLONE
Compound Identifier: 705235
Mol Structure 2D: 705235
Molecular Weight: 401
Formula: C27 H44 O2
Development Status: Preclinical
SMILES: CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC12C
Compound Structures
>^ ISISHOST06100222432D 0 0.00000 0.00000 0^^ 34 37 0 1 0 999 V2000^ 0.4292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 0.5625 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3208 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2917 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8333 -0.7667 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.0833 -0.3167 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.2625 0.8458 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.7875 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8333 -1.6542 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3208 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5958 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5792 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0833 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5958 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5125 1.6833 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.4292 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 -1.6542 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.8333 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6083 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3792 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6375 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8292 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5167 0.0083 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.3417 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 -1.2125 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.1792 1.0583 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.7167 2.6083 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.8333 -2.5417 0.0000 H 0 0 0 0 0 0 0 0 0^ -4.2333 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 2 0 0 0^ 4 1 1 0 0 0^ 5 6 1 0 0 0^ 6 3 1 0 0 0^ 7 2 1 0 0 0^ 8 4 1 0 0 0^ 9 15 1 0 0 0^ 10 2 1 0 0 0^ 11 3 1 0 0 0^ 12 6 1 0 0 0^ 13 5 1 0 0 0^ 14 4 2 0 0 0^ 15 11 1 0 0 0^ 16 9 1 0 0 0^ 17 7 1 0 0 0^ 2 18 1 1 0 0^ 19 13 1 0 0 0^ 20 16 1 0 0 0^ 5 21 1 1 0 0^ 20 22 1 1 0 0^ 23 24 1 0 0 0^ 24 17 1 0 0 0^ 17 25 1 6 0 0^ 26 23 1 0 0 0^ 27 26 1 0 0 0^ 28 27 1 0 0 0^ 29 27 1 0 0 0^ 6 30 1 6 0 0^ 7 31 1 6 0 0^ 17 32 1 1 0 0^ 9 33 1 6 0 0^ 20 34 1 6 0 0^ 8 7 1 0 0 0^ 12 10 1 0 0 0^ 9 5 1 0 0 0^ 20 19 1 0 0 0^M END^^
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