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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > tetrol > 2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin d3

Preferred term

2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin d3  

Type

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

charge

  • 0

formula

  • C29H50O4

has_role

inchi

  • InChI=1S/C29H50O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h11-12,20,23-27,30-33H,5-10,13-19H2,1-4H3/b21-11-,22-12+/t20-,23-,24-,25+,26-,27-,29-/m1/s1

inchikey

  • OETBDAZRINTQAP-GVGIUTEISA-N

mass

  • 462.706

monoisotopicmass

  • 462.37091

smiles

  • C1[C@]2([C@](/C(=C/C=C/3/C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C

subset

  • 3_STAR

synonym EXACT

  • (1R,2S,3R,5Z,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-(3-hydroxypropyl)-9,10-secoestra-5,7-diene-1,3-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91006

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