Viewing Compound With Structures

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Compound Report Overview

Compound Name: SECALCIFEROL
Compound Identifier: 702966
Mol Structure 2D: 702966
Molecular Weight: 417
Formula: C27 H44 O3
Development Status: Launched outside US, not listed by FDA
SMILES: CC(CCC(O)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223082D 0 0.00000 0.00000 0^^ 31 33 0 1 0 999 V2000^ 12.0125 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.0417 0.8042 0.0000 C 0 0 1 0 0 0 0 0 0^ 7.8667 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4917 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.0417 0.0917 0.0000 C 0 0 2 0 0 0 0 0 0^ 9.7375 1.0292 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.8583 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.5000 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4292 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.7375 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.1458 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8875 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2667 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2792 -3.1292 0.0000 C 0 0 1 0 0 0 0 0 0^ 9.0958 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.2958 0.8667 0.0000 C 0 0 3 0 0 0 0 0 0^ 9.9667 1.6917 0.0000 C 0 0 1 0 0 0 0 0 0^ 8.4292 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.0417 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.0500 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.6875 -3.5083 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.7958 0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7958 0.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.1292 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.8333 1.3958 0.0000 C 0 0 1 0 0 0 0 0 0^ 10.6583 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.0417 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.9708 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.5208 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.1218 -0.6121 0.0000 H 0 0 0 0 0 0 0 0 0^ 3 7 2 0 0 0^ 4 3 1 0 0 0^ 5 2 1 0 0 0^ 6 2 1 0 0 0^ 7 10 1 0 0 0^ 8 4 1 0 0 0^ 9 5 1 0 0 0^ 10 9 2 0 0 0^ 11 5 1 0 0 0^ 6 12 1 1 0 0^ 13 15 1 0 0 0^ 14 3 1 0 0 0^ 15 14 1 0 0 0^ 16 4 2 0 0 0^ 17 26 1 0 0 0^ 18 6 1 0 0 0^ 19 2 1 0 0 0^ 2 20 1 1 0 0^ 21 17 1 0 0 0^ 15 22 1 6 0 0^ 23 24 1 0 0 0^ 24 19 1 0 0 0^ 25 27 1 0 0 0^ 26 25 1 0 0 0^ 27 18 1 0 0 0^ 28 17 1 0 0 0^ 29 17 1 0 0 0^ 18 30 1 6 0 0^ 11 12 1 0 0 0^ 9 23 1 0 0 0^ 8 13 1 0 0 0^ 5 31 1 6 0 0^ 26 1 1 1 0 0^M END^^
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