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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > steroid ester > estriol acetate benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > estriol acetate benzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > estriol acetate benzoate
... > 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 > steroid ester > estriol acetate benzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > estriol acetate benzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > estriol acetate benzoate

Preferred term

estriol acetate benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32O6

inchi

  • InChI=1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1

inchikey

  • VQHGRIUWSVCJPX-HSZAMCLRSA-N

mass

  • 476.569

monoisotopicmass

  • 476.21989

smiles

  • O([C@@H]1[C@@]2([C@]([C@]3([C@](CC2)(C4=C(CC3)C=C(OC(=O)C5=CC=CC=C5)C=C4)[H])[H])(C[C@H]1OC(=O)C)[H])C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(8R,9S,13S,14S,16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188896

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