Viewing Compound With Structures

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Compound Report Overview

Compound Name: ALLYLESTRENOL
Compound Identifier: 704853
Mol Structure 2D: 704853
Molecular Weight: 300
Formula: C21 H32 O
Development Status: Launched outside US, not listed by FDA
SMILES: CC12CCC3C(CCC4=CCCCC34)C2CCC1(O)CC=C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222302D 0 0.00000 0.00000 0^^ 26 29 0 1 0 999 V2000^ 0.5375 0.1833 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.5375 -0.9292 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.4375 -1.4875 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.4208 -0.9292 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.3958 -1.4875 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6625 0.5833 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.3958 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4375 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4208 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7792 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4375 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4208 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5042 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3708 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8417 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2417 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3167 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6292 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8667 -2.1417 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.4375 -0.2917 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.4208 -2.1042 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.5458 -0.0042 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 9 1 0 0 0^ 5 4 1 0 0 0^ 6 1 1 0 0 0^ 7 5 1 0 0 0^ 8 1 1 0 0 0^ 9 8 1 0 0 0^ 10 2 1 0 0 0^ 11 3 1 0 0 0^ 12 11 1 0 0 0^ 13 6 1 0 0 0^ 14 7 2 0 0 0^ 15 19 1 0 0 0^ 16 15 2 0 0 0^ 6 17 1 1 0 0^ 1 18 1 1 0 0^ 6 19 1 6 0 0^ 20 5 1 0 0 0^ 21 22 1 0 0 0^ 22 20 1 0 0 0^ 2 23 1 6 0 0^ 3 24 1 1 0 0^ 4 25 1 6 0 0^ 5 26 1 1 0 0^ 13 10 1 0 0 0^ 4 3 1 0 0 0^ 7 12 1 0 0 0^ 21 14 1 0 0 0^M END^^
Structure View
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