| PDB CCD ID: | C33 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C30 H50 O3 |
| InChI: | InChI=1S/C30H50O3/c1-7-10-24-27(31)19-23(21(3)28(24)32)14-13-22-12-9-18-30(6)25(15-16-26(22)30)20(2)11-8-17-29(4,5)33/h13-14,20,24-28,31-33H,3,7-12,15-19H2,1-2,4-6H3/b22-13+,23-14-/t20-,24+,25-,26+,27-,28-,30-/m1/s1 |
| InChIKey: | GMZWKFJQHMQHAO-FMIFKYABSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | OC1CC(\C(=C)C(O)C1CCC)=C\C=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23 | | OpenEye OEToolkits 1.7.5 | CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O | | CACTVS 3.385 | CCC[C@H]1[C@H](O)CC(=C/C=C/2CCC[C@]3(C)[C@H](CC[C@@H]/23)[C@H](C)CCCC(C)(C)O)/C(=C)[C@H]1O | | OpenEye OEToolkits 1.7.5 | CCCC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O | | CACTVS 3.385 | CCC[CH]1[CH](O)CC(=CC=C2CCC[C]3(C)[CH](CC[CH]23)[CH](C)CCCC(C)(C)O)C(=C)[CH]1O |
|
| Name: | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3;
9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPYL-,(1A,2A,3B,5Z,7E) |
| ChEMBL: | CHEMBL378356 |
| ZINC: | ZINC000003934980 |
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