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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

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 > 3-hydroxy steroid > 2-methoxyestriol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 2-methoxyestriol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 3-hydroxy steroid > 2-methoxyestriol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 2-methoxyestriol
... > 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 > 3-hydroxy steroid > 2-methoxyestriol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 2-methoxyestriol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 2-methoxyestriol

Preferred term

2-methoxyestriol  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26O4

inchi

  • InChI=1S/C19H26O4/c1-19-6-5-11-12(14(19)9-16(21)18(19)22)4-3-10-7-15(20)17(23-2)8-13(10)11/h7-8,11-12,14,16,18,20-22H,3-6,9H2,1-2H3/t11-,12+,14-,16+,18-,19-/m0/s1

inchikey

  • PEXPJFWTSZLEAQ-YSYMNNNUSA-N

mass

  • 318.413

monoisotopicmass

  • 318.18311

smiles

  • O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)C=4C(CC3)=CC(O)=C(OC)C4)C[C@H]1O)C

subset

  • 2_STAR

synonym EXACT

  • (8R,9S,13S,14S,16R,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230825

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