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Vitamin D and derivatives
Description:
Compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
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1α-Hydroxy-5, 6-trans-vitamin D3Cas Number: 65445-14-9Formula: C27H44O2IUPAC Name: show moreSMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: OFHCOWSQAMBJIW-AOSUDXALSA-NInChI: show more
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1,25-Dihydroxy-16-ene-23-yne-vitamin D3Cas Number: 118694-43-2Formula: C27H38O3 Molecular Weight: 410.6IUPAC Name: show moreSMILES: CC(CC#CC(C)(C)O)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: JKFZMIQMKFWJAY-RQJQXFIZSA-NInChI: show moreSynonyms: Ro-23-7553 | Ilx 237553 | (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,...
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(1R,3S,5Z)-5-[(2E)-2-[(7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diolFormula: C29H44O3 Molecular Weight: 440.7IUPAC Name: show moreSMILES: CCC(CC)(C=CCC(C)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OInChIKey: XDBOQJCMEXOPMU-BAHYQGKPSA-NInChI: show moreSynonyms: CHEMBL3545094 | SCHEMBL17637812
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PefcalcitolCas Number: 381212-03-9 Compound CID: 16122802Formula: C26H34F5NO4 Molecular Weight: 519.5IUPAC Name: show moreSMILES: CC(C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCC(=O)NCC(C(F)(F)F)(F)FInChIKey: SVCSMAZYWOQCBW-NVJMFHFGSA-NInChI: show moreSynonyms: Pefcalcitol | m-5180 | UNII-KT5224XSHW | 2-(((1S,3R,5z,7E,20S)-1,3-dihydroxy-9,10-secopregna-5,7,10(19),16-tetraen-20...
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1alpha,25-dihydroxy-2-methylene-19-nor-20-epivitamin D3/1alpha,25-dihydroxy-2-methylene-19-nor-20-epicholecalciferolFormula: C27H44O3 Molecular Weight: 416.6IUPAC Name: show moreSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)CInChIKey: UHMPCVGLSKFXHR-NAQZCRMNSA-NInChI: show moreSynonyms: 2MD | HY-148698 | LMST03020557 | (1R,3R,7E,17beta)-17-[(1S)-5-hydroxy-1,5-dimethylhexyl]-2-methylidene-9,10-secoestra...
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BecocalcidiolCas Number: 524067-21-8 Compound CID: 5289547Formula: C23H36O2 Molecular Weight: 344.5IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diolSMILES: CCC(C)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O)CInChIKey: QSLUXQQUPXBIHH-YHSKWIAJSA-NInChI: show moreSynonyms: Becocalcidiol | AKOS040750718 | Becocalcidiol [USAN:INN] | DP-006 | (1R,3R)-2-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-7a-me...
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Calcitriol Impurities DCas Number: 103656-40-2 Compound CID: 9547481Formula: C28H46O3 Molecular Weight: 430.66IUPAC Name: show moreSMILES: CC(CCCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: WKTIGYIYJKESCJ-JJWMBMNSSA-NInChI: show moreSynonyms: UNII-F35KTH803S | DB15557 | (5Z,7E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | AS-82280 | LM...
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Glyco-diosgeninCas Number: 1402423-29-3 Compound CID: 162642462Formula: C56H92O25 Molecular Weight: 1165.31IUPAC Name: show moreSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)COC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1InChIKey: LKBFXDNKNZXHHW-OWZYDGQDSA-NInChI: show more
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(24S)-MC 976Cas Number: 112849-14-6 Compound CID: 71576665Formula: C27H42O3 Molecular Weight: 414.62IUPAC Name: show moreSMILES: CC(CCC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)CInChIKey: NQHWMFGCRBTMOO-DWCMLEBJSA-NInChI: show moreSynonyms: (24S)-MC 976 | CS-1245 | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-...
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Calcipotriol Impurity CCas Number: 113082-99-8Formula: C27H40O3 Molecular Weight: 412.6IUPAC Name: show moreSMILES: CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)CInChIKey: LWQQLNNNIPYSNX-GMGGYIQASA-NInChI: show moreSynonyms: 1,3-Cyclohexanediol, 5-((2E)-2-((1R,3aS,7aR)-1-((1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl)octahydro-7a...
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Tachysterol 3Formula: C27H44O Molecular Weight: 384.64IUPAC Name: (1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-olSMILES: CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C)CInChIKey: YUGCAAVRZWBXEQ-FMCTZRJNSA-NInChI: show moreSynonyms: AKOS040757010 | (1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e...
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Impurity B of CalcitriolCas Number: 66791-71-7Formula: C27H44O3 Molecular Weight: 416.64IUPAC Name: show moreSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: GMRQFYUYWCNGIN-PEJFXWBPSA-NInChI: show moreSynonyms: AKOS030526871 | SCHEMBL9048511 | 1beta,25-Dihydroxyvitamin-D3 | BDBM50241974 | Calcitriol impurity B [EP] | 1beta,25-...
