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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2beta-methoxy-1alpha,25-dihydroxyvitamin d3

Preferred term

2beta-methoxy-1alpha,25-dihydroxyvitamin d3  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H46O4

inchi

  • InChI=1S/C28H46O4/c1-18(9-7-15-27(3,4)31)22-13-14-23-20(10-8-16-28(22,23)5)11-12-21-17-24(29)26(32-6)25(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23+,24-,25-,26-,28-/m1/s1

inchikey

  • IYVWHAHWFGFFIF-ZWBLGGIOSA-N

mass

  • 446.672

monoisotopicmass

  • 446.33961

smiles

  • OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@@H](O)[C@@H](OC)[C@H](O)C3=C)[H])C)[H])C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methoxy-4-methylidenecyclohexane-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178538

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