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Chemistry, part 2

Content language

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

Concept information

organooxygen compound > ester > steroid ester > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
... > 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 > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > 3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate

Preferred term

3beta,21-dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32O5

inchi

  • InChI=1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1

inchikey

  • VFSIJASPRGEZJU-PZLPAFFHSA-N

mass

  • 412.51860

monoisotopicmass

  • 412.22497

smiles

  • CC(=O)OCC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79449

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